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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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/GM1655-f4a9025b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/GM1655-f4a9025b/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: 6
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -377.377913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.377913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.377913 (E_RNA)
where:
Base-Base interactions energy: -186.942
where: short stacking energy: -129.881
Base-Backbone interact. energy: 0.523
local terms energy: -190.959105
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -40.605
flat angles C4'-P-C4' energy: -41.370
flat angles P-C4'-P energy: -38.274
tors. eta vs tors. theta energy: -17.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -324.052443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.052443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.052443 (E_RNA)
where:
Base-Base interactions energy: -168.737
where: short stacking energy: -114.187
Base-Backbone interact. energy: 0.267
local terms energy: -155.582241
where:
bonds (distance) C4'-P energy: -41.459
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -38.421
flat angles P-C4'-P energy: -27.811
tors. eta vs tors. theta energy: -1.402
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: 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: 2
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -482.473765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.473765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.473765 (E_RNA)
where:
Base-Base interactions energy: -253.968
where: short stacking energy: -170.588
Base-Backbone interact. energy: -1.259
local terms energy: -227.247135
where:
bonds (distance) C4'-P energy: -50.163
bonds (distance) P-C4' energy: -55.480
flat angles C4'-P-C4' energy: -58.683
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -35.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -581.711574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.711574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.711574 (E_RNA)
where:
Base-Base interactions energy: -368.065
where: short stacking energy: -187.726
Base-Backbone interact. energy: 0.730
local terms energy: -214.376727
where:
bonds (distance) C4'-P energy: -44.505
bonds (distance) P-C4' energy: -56.822
flat angles C4'-P-C4' energy: -58.025
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -29.589
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: 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: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -379.803735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.803735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.803735 (E_RNA)
where:
Base-Base interactions energy: -178.174
where: short stacking energy: -126.052
Base-Backbone interact. energy: -1.300
local terms energy: -200.330514
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -48.608
flat angles C4'-P-C4' energy: -56.672
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -389.687370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.687370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.687370 (E_RNA)
where:
Base-Base interactions energy: -192.317
where: short stacking energy: -122.509
Base-Backbone interact. energy: 1.719
local terms energy: -199.089495
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -50.229
flat angles C4'-P-C4' energy: -48.756
flat angles P-C4'-P energy: -37.215
tors. eta vs tors. theta energy: -8.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 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: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -532.095860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.095860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.095860 (E_RNA)
where:
Base-Base interactions energy: -312.199
where: short stacking energy: -180.046
Base-Backbone interact. energy: -2.527
local terms energy: -217.369653
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -47.551
flat angles C4'-P-C4' energy: -56.234
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -27.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -599.821636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.821636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.821636 (E_RNA)
where:
Base-Base interactions energy: -364.014
where: short stacking energy: -179.302
Base-Backbone interact. energy: 0.321
local terms energy: -236.129272
where:
bonds (distance) C4'-P energy: -52.617
bonds (distance) P-C4' energy: -61.893
flat angles C4'-P-C4' energy: -53.651
flat angles P-C4'-P energy: -36.399
tors. eta vs tors. theta energy: -31.569
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: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -432.404770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.404770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.404770 (E_RNA)
where:
Base-Base interactions energy: -228.661
where: short stacking energy: -134.395
Base-Backbone interact. energy: 0.742
local terms energy: -204.485706
where:
bonds (distance) C4'-P energy: -46.433
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -34.231
tors. eta vs tors. theta energy: -22.799
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -306.407918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.407918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.407918 (E_RNA)
where:
Base-Base interactions energy: -114.374
where: short stacking energy: -104.071
Base-Backbone interact. energy: -0.705
local terms energy: -191.328883
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -56.114
flat angles C4'-P-C4' energy: -51.532
flat angles P-C4'-P energy: -34.814
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -348.942805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.942805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.942805 (E_RNA)
where:
Base-Base interactions energy: -148.291
where: short stacking energy: -98.081
Base-Backbone interact. energy: -0.580
local terms energy: -200.072070
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -55.381
flat angles C4'-P-C4' energy: -50.719
flat angles P-C4'-P energy: -33.319
tors. eta vs tors. theta energy: -8.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -685.663571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.663571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.663571 (E_RNA)
where:
Base-Base interactions energy: -427.284
where: short stacking energy: -219.050
Base-Backbone interact. energy: 0.014
local terms energy: -258.393371
where:
bonds (distance) C4'-P energy: -59.204
bonds (distance) P-C4' energy: -52.343
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -27.803
tors. eta vs tors. theta energy: -50.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -523.106535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.106535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.106535 (E_RNA)
where:
Base-Base interactions energy: -289.929
where: short stacking energy: -155.856
Base-Backbone interact. energy: 0.610
local terms energy: -233.787343
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -64.182
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -31.147
tors. eta vs tors. theta energy: -25.698
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: 4
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -431.525690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.525690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.525690 (E_RNA)
where:
Base-Base interactions energy: -224.023
where: short stacking energy: -117.995
Base-Backbone interact. energy: -1.040
local terms energy: -206.462681
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -65.909
flat angles C4'-P-C4' energy: -45.880
flat angles P-C4'-P energy: -29.965
tors. eta vs tors. theta energy: -2.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -320.122696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.122696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.122696 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -114.509
Base-Backbone interact. energy: 2.194
local terms energy: -176.258850
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -46.611
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -12.413
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: 10
Temperature: 1.300000
Total energy: -324.878456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.878456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.878456 (E_RNA)
where:
Base-Base interactions energy: -147.000
where: short stacking energy: -91.819
Base-Backbone interact. energy: -0.684
local terms energy: -177.194575
where:
bonds (distance) C4'-P energy: -42.684
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -51.767
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -0.932
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: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -314.152754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.152754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.152754 (E_RNA)
where:
Base-Base interactions energy: -145.224
where: short stacking energy: -87.593
Base-Backbone interact. energy: 0.802
local terms energy: -169.730910
where:
bonds (distance) C4'-P energy: -45.847
bonds (distance) P-C4' energy: -42.745
flat angles C4'-P-C4' energy: -48.871
flat angles P-C4'-P energy: -36.357
tors. eta vs tors. theta energy: 4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -738.620504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.620504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.620504 (E_RNA)
where:
Base-Base interactions energy: -469.598
where: short stacking energy: -233.060
Base-Backbone interact. energy: -0.526
local terms energy: -268.496808
where:
bonds (distance) C4'-P energy: -47.344
bonds (distance) P-C4' energy: -53.887
flat angles C4'-P-C4' energy: -66.320
flat angles P-C4'-P energy: -42.454
tors. eta vs tors. theta energy: -58.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 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: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -501.973287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.973287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.973287 (E_RNA)
where:
Base-Base interactions energy: -282.958
where: short stacking energy: -158.850
Base-Backbone interact. energy: -1.213
local terms energy: -217.802407
where:
bonds (distance) C4'-P energy: -55.656
bonds (distance) P-C4' energy: -64.441
flat angles C4'-P-C4' energy: -48.102
flat angles P-C4'-P energy: -25.230
tors. eta vs tors. theta energy: -24.374
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: 4
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -410.757877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.757877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.757877 (E_RNA)
where:
Base-Base interactions energy: -195.990
where: short stacking energy: -130.118
Base-Backbone interact. energy: 0.013
local terms energy: -214.780879
where:
bonds (distance) C4'-P energy: -56.346
bonds (distance) P-C4' energy: -62.510
flat angles C4'-P-C4' energy: -44.151
flat angles P-C4'-P energy: -35.604
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -369.676232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.676232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.676232 (E_RNA)
where:
Base-Base interactions energy: -179.309
where: short stacking energy: -115.392
Base-Backbone interact. energy: -0.290
local terms energy: -190.077708
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -50.162
flat angles C4'-P-C4' energy: -38.953
flat angles P-C4'-P energy: -33.720
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -335.159534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.159534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.159534 (E_RNA)
where:
Base-Base interactions energy: -154.999
where: short stacking energy: -96.191
Base-Backbone interact. energy: -1.246
local terms energy: -178.914831
where:
bonds (distance) C4'-P energy: -52.264
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -48.502
flat angles P-C4'-P energy: -19.774
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -321.010082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.010082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.010082 (E_RNA)
where:
Base-Base interactions energy: -148.734
where: short stacking energy: -100.529
Base-Backbone interact. energy: 1.076
local terms energy: -173.352033
where:
bonds (distance) C4'-P energy: -52.930
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -27.094
tors. eta vs tors. theta energy: 15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -786.685334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.685334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.685334 (E_RNA)
where:
Base-Base interactions energy: -506.212
where: short stacking energy: -278.636
Base-Backbone interact. energy: -0.732
local terms energy: -279.740666
where:
bonds (distance) C4'-P energy: -51.365
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -65.118
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -73.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -519.728777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.728777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.728777 (E_RNA)
where:
Base-Base interactions energy: -314.798
where: short stacking energy: -157.896
Base-Backbone interact. energy: -0.907
local terms energy: -204.024358
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -41.798
tors. eta vs tors. theta energy: -8.609
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: 12
Temperature: 1.200000
Total energy: -363.790997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.790997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.790997 (E_RNA)
where:
Base-Base interactions energy: -185.149
where: short stacking energy: -133.181
Base-Backbone interact. energy: 0.033
local terms energy: -178.674510
where:
bonds (distance) C4'-P energy: -44.277
bonds (distance) P-C4' energy: -52.662
flat angles C4'-P-C4' energy: -47.308
flat angles P-C4'-P energy: -26.483
tors. eta vs tors. theta energy: -7.944
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -385.360220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.360220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.360220 (E_RNA)
where:
Base-Base interactions energy: -179.932
where: short stacking energy: -118.442
Base-Backbone interact. energy: -0.639
local terms energy: -204.789288
where:
bonds (distance) C4'-P energy: -55.372
bonds (distance) P-C4' energy: -48.778
flat angles C4'-P-C4' energy: -44.580
flat angles P-C4'-P energy: -32.447
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -465.286801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.286801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.286801 (E_RNA)
where:
Base-Base interactions energy: -265.040
where: short stacking energy: -133.396
Base-Backbone interact. energy: 1.308
local terms energy: -201.555394
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -62.891
flat angles C4'-P-C4' energy: -44.851
flat angles P-C4'-P energy: -25.789
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -289.170006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.170006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.170006 (E_RNA)
where:
Base-Base interactions energy: -91.554
where: short stacking energy: -87.720
Base-Backbone interact. energy: -0.106
local terms energy: -197.510398
where:
bonds (distance) C4'-P energy: -50.710
bonds (distance) P-C4' energy: -65.715
flat angles C4'-P-C4' energy: -56.453
flat angles P-C4'-P energy: -30.357
tors. eta vs tors. theta energy: 5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -766.915293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.915293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.915293 (E_RNA)
where:
Base-Base interactions energy: -478.939
where: short stacking energy: -247.415
Base-Backbone interact. energy: -0.913
local terms energy: -287.063789
where:
bonds (distance) C4'-P energy: -57.786
bonds (distance) P-C4' energy: -61.151
flat angles C4'-P-C4' energy: -59.283
flat angles P-C4'-P energy: -37.907
tors. eta vs tors. theta energy: -70.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 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: 2
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -560.259642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.259642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.259642 (E_RNA)
where:
Base-Base interactions energy: -336.687
where: short stacking energy: -173.796
Base-Backbone interact. energy: 3.172
local terms energy: -226.745240
where:
bonds (distance) C4'-P energy: -47.746
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -53.737
flat angles P-C4'-P energy: -38.819
tors. eta vs tors. theta energy: -26.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -433.130729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.130729 (E_RNA)
where:
Base-Base interactions energy: -223.331
where: short stacking energy: -131.564
Base-Backbone interact. energy: -1.726
local terms energy: -208.073041
where:
bonds (distance) C4'-P energy: -50.109
bonds (distance) P-C4' energy: -54.644
flat angles C4'-P-C4' energy: -50.252
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -15.248
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: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -548.939047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.939047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.939047 (E_RNA)
where:
Base-Base interactions energy: -325.654
where: short stacking energy: -154.621
Base-Backbone interact. energy: -1.868
local terms energy: -221.416965
where:
bonds (distance) C4'-P energy: -47.236
bonds (distance) P-C4' energy: -56.437
flat angles C4'-P-C4' energy: -50.396
flat angles P-C4'-P energy: -41.276
tors. eta vs tors. theta energy: -26.072
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: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -364.368510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.368510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.368510 (E_RNA)
where:
Base-Base interactions energy: -177.122
where: short stacking energy: -116.679
Base-Backbone interact. energy: 4.465
local terms energy: -191.711616
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -36.313
flat angles P-C4'-P energy: -32.788
tors. eta vs tors. theta energy: -13.659
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: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -283.923496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.923496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.923496 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -76.473
Base-Backbone interact. energy: 0.178
local terms energy: -159.466114
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -40.593
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 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: -826.806825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.806825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.806825 (E_RNA)
where:
Base-Base interactions energy: -548.785
where: short stacking energy: -270.875
Base-Backbone interact. energy: -0.325
local terms energy: -277.696902
where:
bonds (distance) C4'-P energy: -50.256
bonds (distance) P-C4' energy: -59.867
flat angles C4'-P-C4' energy: -58.190
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -66.599
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: 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: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -600.962172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.962172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.962172 (E_RNA)
where:
Base-Base interactions energy: -398.315
where: short stacking energy: -195.414
Base-Backbone interact. energy: -1.958
local terms energy: -200.689573
where:
bonds (distance) C4'-P energy: -51.064
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -49.932
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -31.080
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -583.589996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.589996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.589996 (E_RNA)
where:
Base-Base interactions energy: -338.246
where: short stacking energy: -173.800
Base-Backbone interact. energy: -1.338
local terms energy: -244.005288
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -69.275
flat angles C4'-P-C4' energy: -57.160
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -39.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -431.007941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.007941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.007941 (E_RNA)
where:
Base-Base interactions energy: -235.495
where: short stacking energy: -123.772
Base-Backbone interact. energy: -1.452
local terms energy: -194.060783
where:
bonds (distance) C4'-P energy: -48.266
bonds (distance) P-C4' energy: -52.497
flat angles C4'-P-C4' energy: -44.890
flat angles P-C4'-P energy: -27.262
tors. eta vs tors. theta energy: -21.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -365.448621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.448621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.448621 (E_RNA)
where:
Base-Base interactions energy: -168.653
where: short stacking energy: -88.452
Base-Backbone interact. energy: 0.433
local terms energy: -197.229345
where:
bonds (distance) C4'-P energy: -51.470
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -270.016733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.016733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.016733 (E_RNA)
where:
Base-Base interactions energy: -117.758
where: short stacking energy: -86.033
Base-Backbone interact. energy: 4.147
local terms energy: -156.405439
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -57.108
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: 7.256
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: 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: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -882.152002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.152002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.152002 (E_RNA)
where:
Base-Base interactions energy: -576.578
where: short stacking energy: -265.875
Base-Backbone interact. energy: 2.253
local terms energy: -307.826939
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -68.196
flat angles C4'-P-C4' energy: -62.488
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -66.722
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -819.649795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.649795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.649795 (E_RNA)
where:
Base-Base interactions energy: -538.642
where: short stacking energy: -264.754
Base-Backbone interact. energy: -1.610
local terms energy: -279.398000
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -62.912
flat angles P-C4'-P energy: -47.578
tors. eta vs tors. theta energy: -63.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 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: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -614.437037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.437037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.437037 (E_RNA)
where:
Base-Base interactions energy: -387.202
where: short stacking energy: -175.732
Base-Backbone interact. energy: -1.453
local terms energy: -225.781645
where:
bonds (distance) C4'-P energy: -52.375
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -30.847
tors. eta vs tors. theta energy: -34.311
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: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -620.839923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.839923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.839923 (E_RNA)
where:
Base-Base interactions energy: -396.837
where: short stacking energy: -201.456
Base-Backbone interact. energy: -1.560
local terms energy: -222.442350
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -43.414
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -37.381
tors. eta vs tors. theta energy: -37.341
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: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -483.326268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.326268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.326268 (E_RNA)
where:
Base-Base interactions energy: -267.346
where: short stacking energy: -156.513
Base-Backbone interact. energy: 0.113
local terms energy: -216.093825
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -30.978
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -292.716831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.716831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.716831 (E_RNA)
where:
Base-Base interactions energy: -131.627
where: short stacking energy: -103.189
Base-Backbone interact. energy: -0.848
local terms energy: -160.241909
where:
bonds (distance) C4'-P energy: -50.971
bonds (distance) P-C4' energy: -38.022
flat angles C4'-P-C4' energy: -50.291
flat angles P-C4'-P energy: -33.567
tors. eta vs tors. theta energy: 12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -265.205999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.205999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.205999 (E_RNA)
where:
Base-Base interactions energy: -100.427
where: short stacking energy: -85.117
Base-Backbone interact. energy: -0.963
local terms energy: -163.815887
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -53.036
flat angles C4'-P-C4' energy: -42.481
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: 8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -881.059517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.059517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.059517 (E_RNA)
where:
Base-Base interactions energy: -585.699
where: short stacking energy: -268.371
Base-Backbone interact. energy: -2.067
local terms energy: -293.293920
where:
bonds (distance) C4'-P energy: -64.111
bonds (distance) P-C4' energy: -65.249
flat angles C4'-P-C4' energy: -61.382
flat angles P-C4'-P energy: -31.530
tors. eta vs tors. theta energy: -71.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -806.238858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.238858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.238858 (E_RNA)
where:
Base-Base interactions energy: -524.901
where: short stacking energy: -247.693
Base-Backbone interact. energy: -0.889
local terms energy: -280.448533
where:
bonds (distance) C4'-P energy: -58.943
bonds (distance) P-C4' energy: -56.163
flat angles C4'-P-C4' energy: -68.367
flat angles P-C4'-P energy: -43.521
tors. eta vs tors. theta energy: -53.455
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: 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: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -682.814480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.814480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.814480 (E_RNA)
where:
Base-Base interactions energy: -418.938
where: short stacking energy: -191.647
Base-Backbone interact. energy: -0.541
local terms energy: -263.334933
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -55.620
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -49.233
tors. eta vs tors. theta energy: -39.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 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: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -705.807218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.807218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.807218 (E_RNA)
where:
Base-Base interactions energy: -465.266
where: short stacking energy: -215.855
Base-Backbone interact. energy: 1.947
local terms energy: -242.488420
where:
bonds (distance) C4'-P energy: -37.934
bonds (distance) P-C4' energy: -53.638
flat angles C4'-P-C4' energy: -57.980
flat angles P-C4'-P energy: -39.739
tors. eta vs tors. theta energy: -53.198
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: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -464.855930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.855930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.855930 (E_RNA)
where:
Base-Base interactions energy: -251.258
where: short stacking energy: -142.331
Base-Backbone interact. energy: -0.210
local terms energy: -213.387882
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -59.716
flat angles C4'-P-C4' energy: -56.524
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -22.002
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -281.725534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.725534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.725534 (E_RNA)
where:
Base-Base interactions energy: -109.417
where: short stacking energy: -70.209
Base-Backbone interact. energy: -2.331
local terms energy: -169.978059
where:
bonds (distance) C4'-P energy: -57.629
bonds (distance) P-C4' energy: -55.193
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -21.119
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: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -255.830789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.830789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.830789 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -61.376
Base-Backbone interact. energy: 1.128
local terms energy: -155.537299
where:
bonds (distance) C4'-P energy: -39.587
bonds (distance) P-C4' energy: -46.241
flat angles C4'-P-C4' energy: -53.215
flat angles P-C4'-P energy: -30.689
tors. eta vs tors. theta energy: 14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -912.830724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.830724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.830724 (E_RNA)
where:
Base-Base interactions energy: -614.695
where: short stacking energy: -282.948
Base-Backbone interact. energy: -2.319
local terms energy: -295.817169
where:
bonds (distance) C4'-P energy: -64.314
bonds (distance) P-C4' energy: -55.598
flat angles C4'-P-C4' energy: -65.863
flat angles P-C4'-P energy: -32.437
tors. eta vs tors. theta energy: -77.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -814.481271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.481271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.481271 (E_RNA)
where:
Base-Base interactions energy: -550.194
where: short stacking energy: -251.923
Base-Backbone interact. energy: 0.454
local terms energy: -264.741174
where:
bonds (distance) C4'-P energy: -56.497
bonds (distance) P-C4' energy: -49.370
flat angles C4'-P-C4' energy: -61.256
flat angles P-C4'-P energy: -36.456
tors. eta vs tors. theta energy: -61.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -728.484890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.484890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.484890 (E_RNA)
where:
Base-Base interactions energy: -477.773
where: short stacking energy: -209.755
Base-Backbone interact. energy: -1.485
local terms energy: -249.226730
where:
bonds (distance) C4'-P energy: -58.354
bonds (distance) P-C4' energy: -41.464
flat angles C4'-P-C4' energy: -65.872
flat angles P-C4'-P energy: -37.789
tors. eta vs tors. theta energy: -45.748
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: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -691.068452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.068452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.068452 (E_RNA)
where:
Base-Base interactions energy: -435.702
where: short stacking energy: -205.992
Base-Backbone interact. energy: 1.224
local terms energy: -256.590019
where:
bonds (distance) C4'-P energy: -60.439
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -51.237
flat angles P-C4'-P energy: -30.502
tors. eta vs tors. theta energy: -51.314
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: 1
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -613.235048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.235048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.235048 (E_RNA)
where:
Base-Base interactions energy: -369.055
where: short stacking energy: -182.251
Base-Backbone interact. energy: 1.626
local terms energy: -245.806266
where:
bonds (distance) C4'-P energy: -51.444
bonds (distance) P-C4' energy: -60.304
flat angles C4'-P-C4' energy: -54.887
flat angles P-C4'-P energy: -41.262
tors. eta vs tors. theta energy: -37.910
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -479.013359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.013359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.013359 (E_RNA)
where:
Base-Base interactions energy: -281.591
where: short stacking energy: -135.074
Base-Backbone interact. energy: -1.537
local terms energy: -195.885781
where:
bonds (distance) C4'-P energy: -49.467
bonds (distance) P-C4' energy: -39.981
flat angles C4'-P-C4' energy: -53.167
flat angles P-C4'-P energy: -28.419
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -300.113902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.113902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.113902 (E_RNA)
where:
Base-Base interactions energy: -130.181
where: short stacking energy: -104.809
Base-Backbone interact. energy: -0.634
local terms energy: -169.299001
where:
bonds (distance) C4'-P energy: -43.682
bonds (distance) P-C4' energy: -54.465
flat angles C4'-P-C4' energy: -49.454
flat angles P-C4'-P energy: -30.218
tors. eta vs tors. theta energy: 8.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -269.233382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.233382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.233382 (E_RNA)
where:
Base-Base interactions energy: -102.489
where: short stacking energy: -87.344
Base-Backbone interact. energy: -1.657
local terms energy: -165.087125
where:
bonds (distance) C4'-P energy: -36.422
bonds (distance) P-C4' energy: -54.193
flat angles C4'-P-C4' energy: -50.308
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: 7.193
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: 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: -909.032245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.032245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.032245 (E_RNA)
where:
Base-Base interactions energy: -603.289
where: short stacking energy: -297.216
Base-Backbone interact. energy: -1.515
local terms energy: -304.228300
where:
bonds (distance) C4'-P energy: -58.557
bonds (distance) P-C4' energy: -57.765
flat angles C4'-P-C4' energy: -65.476
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: -78.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -791.588006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.588006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.588006 (E_RNA)
where:
Base-Base interactions energy: -533.924
where: short stacking energy: -238.872
Base-Backbone interact. energy: 0.260
local terms energy: -257.924236
where:
bonds (distance) C4'-P energy: -59.736
bonds (distance) P-C4' energy: -52.546
flat angles C4'-P-C4' energy: -60.680
flat angles P-C4'-P energy: -31.224
tors. eta vs tors. theta energy: -53.738
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: 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: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -724.634410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.634410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.634410 (E_RNA)
where:
Base-Base interactions energy: -470.565
where: short stacking energy: -222.322
Base-Backbone interact. energy: -2.691
local terms energy: -251.378355
where:
bonds (distance) C4'-P energy: -44.202
bonds (distance) P-C4' energy: -61.915
flat angles C4'-P-C4' energy: -54.985
flat angles P-C4'-P energy: -33.875
tors. eta vs tors. theta energy: -56.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -683.570655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.570655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.570655 (E_RNA)
where:
Base-Base interactions energy: -431.923
where: short stacking energy: -199.732
Base-Backbone interact. energy: 0.013
local terms energy: -251.660363
where:
bonds (distance) C4'-P energy: -49.543
bonds (distance) P-C4' energy: -66.299
flat angles C4'-P-C4' energy: -52.802
flat angles P-C4'-P energy: -39.142
tors. eta vs tors. theta energy: -43.874
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: 1
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -568.675119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.675119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.675119 (E_RNA)
where:
Base-Base interactions energy: -365.754
where: short stacking energy: -164.580
Base-Backbone interact. energy: -1.100
local terms energy: -201.821081
where:
bonds (distance) C4'-P energy: -52.673
bonds (distance) P-C4' energy: -46.273
flat angles C4'-P-C4' energy: -43.072
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -33.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -464.447151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.447151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.447151 (E_RNA)
where:
Base-Base interactions energy: -273.954
where: short stacking energy: -140.025
Base-Backbone interact. energy: 0.091
local terms energy: -190.583498
where:
bonds (distance) C4'-P energy: -37.813
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -54.650
flat angles P-C4'-P energy: -33.336
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -278.900709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.900709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.900709 (E_RNA)
where:
Base-Base interactions energy: -116.311
where: short stacking energy: -82.921
Base-Backbone interact. energy: -1.119
local terms energy: -161.471211
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -50.147
flat angles C4'-P-C4' energy: -50.244
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: 3.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -299.686069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.686069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.686069 (E_RNA)
where:
Base-Base interactions energy: -136.885
where: short stacking energy: -74.958
Base-Backbone interact. energy: -1.946
local terms energy: -160.855753
where:
bonds (distance) C4'-P energy: -47.287
bonds (distance) P-C4' energy: -61.963
flat angles C4'-P-C4' energy: -37.242
flat angles P-C4'-P energy: -28.993
tors. eta vs tors. theta energy: 14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: -921.310254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.310254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.310254 (E_RNA)
where:
Base-Base interactions energy: -614.338
where: short stacking energy: -294.598
Base-Backbone interact. energy: -2.515
local terms energy: -304.457218
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -65.434
flat angles C4'-P-C4' energy: -63.779
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -76.118
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -824.592803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.592803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.592803 (E_RNA)
where:
Base-Base interactions energy: -543.946
where: short stacking energy: -248.522
Base-Backbone interact. energy: -0.976
local terms energy: -279.670088
where:
bonds (distance) C4'-P energy: -54.817
bonds (distance) P-C4' energy: -61.851
flat angles C4'-P-C4' energy: -57.523
flat angles P-C4'-P energy: -42.203
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 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: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -729.045417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.045417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.045417 (E_RNA)
where:
Base-Base interactions energy: -462.182
where: short stacking energy: -217.954
Base-Backbone interact. energy: -0.746
local terms energy: -266.117390
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -57.734
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: -53.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -691.833558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.833558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.833558 (E_RNA)
where:
Base-Base interactions energy: -436.263
where: short stacking energy: -208.045
Base-Backbone interact. energy: -0.616
local terms energy: -254.954849
where:
bonds (distance) C4'-P energy: -50.541
bonds (distance) P-C4' energy: -66.696
flat angles C4'-P-C4' energy: -55.896
flat angles P-C4'-P energy: -31.465
tors. eta vs tors. theta energy: -50.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -563.632637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.632637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.632637 (E_RNA)
where:
Base-Base interactions energy: -342.139
where: short stacking energy: -156.344
Base-Backbone interact. energy: -0.976
local terms energy: -220.517917
where:
bonds (distance) C4'-P energy: -49.006
bonds (distance) P-C4' energy: -56.856
flat angles C4'-P-C4' energy: -58.759
flat angles P-C4'-P energy: -32.082
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -478.515216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.515216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.515216 (E_RNA)
where:
Base-Base interactions energy: -279.641
where: short stacking energy: -143.736
Base-Backbone interact. energy: -1.631
local terms energy: -197.243389
where:
bonds (distance) C4'-P energy: -56.717
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -38.148
flat angles P-C4'-P energy: -22.877
tors. eta vs tors. theta energy: -27.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -376.052805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.052805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.052805 (E_RNA)
where:
Base-Base interactions energy: -178.053
where: short stacking energy: -113.576
Base-Backbone interact. energy: 1.669
local terms energy: -199.669029
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -57.598
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -282.657797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.657797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.657797 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -79.903
Base-Backbone interact. energy: -1.865
local terms energy: -146.325831
where:
bonds (distance) C4'-P energy: -44.478
bonds (distance) P-C4' energy: -41.450
flat angles C4'-P-C4' energy: -40.936
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: 1.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: -886.729804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.729804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.729804 (E_RNA)
where:
Base-Base interactions energy: -600.170
where: short stacking energy: -274.562
Base-Backbone interact. energy: 5.005
local terms energy: -291.565202
where:
bonds (distance) C4'-P energy: -51.368
bonds (distance) P-C4' energy: -65.946
flat angles C4'-P-C4' energy: -55.204
flat angles P-C4'-P energy: -43.583
tors. eta vs tors. theta energy: -75.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: -859.228618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.228618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.228618 (E_RNA)
where:
Base-Base interactions energy: -564.444
where: short stacking energy: -254.625
Base-Backbone interact. energy: -2.968
local terms energy: -291.817255
where:
bonds (distance) C4'-P energy: -55.596
bonds (distance) P-C4' energy: -62.570
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -40.963
tors. eta vs tors. theta energy: -67.633
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: 20
Temperature: 1.100000
Total energy: -710.125222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.125222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.125222 (E_RNA)
where:
Base-Base interactions energy: -450.941
where: short stacking energy: -195.291
Base-Backbone interact. energy: -1.208
local terms energy: -257.976493
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -58.079
flat angles P-C4'-P energy: -37.069
tors. eta vs tors. theta energy: -47.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -712.941048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.941048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.941048 (E_RNA)
where:
Base-Base interactions energy: -454.999
where: short stacking energy: -216.922
Base-Backbone interact. energy: 2.552
local terms energy: -260.494696
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -45.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -567.832253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.832253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.832253 (E_RNA)
where:
Base-Base interactions energy: -337.706
where: short stacking energy: -183.030
Base-Backbone interact. energy: -0.826
local terms energy: -229.300129
where:
bonds (distance) C4'-P energy: -55.342
bonds (distance) P-C4' energy: -56.690
flat angles C4'-P-C4' energy: -51.990
flat angles P-C4'-P energy: -33.103
tors. eta vs tors. theta energy: -32.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -432.619703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.619703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.619703 (E_RNA)
where:
Base-Base interactions energy: -228.692
where: short stacking energy: -128.022
Base-Backbone interact. energy: -1.092
local terms energy: -202.836273
where:
bonds (distance) C4'-P energy: -60.925
bonds (distance) P-C4' energy: -52.547
flat angles C4'-P-C4' energy: -38.574
flat angles P-C4'-P energy: -33.539
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -370.774548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.774548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.774548 (E_RNA)
where:
Base-Base interactions energy: -208.564
where: short stacking energy: -116.893
Base-Backbone interact. energy: 0.367
local terms energy: -162.577111
where:
bonds (distance) C4'-P energy: -32.805
bonds (distance) P-C4' energy: -45.513
flat angles C4'-P-C4' energy: -52.228
flat angles P-C4'-P energy: -26.103
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -273.201963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.201963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.201963 (E_RNA)
where:
Base-Base interactions energy: -112.245
where: short stacking energy: -96.572
Base-Backbone interact. energy: 2.507
local terms energy: -163.464542
where:
bonds (distance) C4'-P energy: -38.218
bonds (distance) P-C4' energy: -55.000
flat angles C4'-P-C4' energy: -49.075
flat angles P-C4'-P energy: -27.395
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 10
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -904.516357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.516357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.516357 (E_RNA)
where:
Base-Base interactions energy: -625.651
where: short stacking energy: -286.632
Base-Backbone interact. energy: -1.830
local terms energy: -277.035403
where:
bonds (distance) C4'-P energy: -60.393
bonds (distance) P-C4' energy: -51.723
flat angles C4'-P-C4' energy: -56.950
flat angles P-C4'-P energy: -37.868
tors. eta vs tors. theta energy: -70.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -932.131554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.131554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.131554 (E_RNA)
where:
Base-Base interactions energy: -637.936
where: short stacking energy: -271.695
Base-Backbone interact. energy: 0.851
local terms energy: -295.046481
where:
bonds (distance) C4'-P energy: -52.537
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -61.789
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -77.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -844.960101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.960101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.960101 (E_RNA)
where:
Base-Base interactions energy: -588.305
where: short stacking energy: -259.257
Base-Backbone interact. energy: -3.700
local terms energy: -252.955249
where:
bonds (distance) C4'-P energy: -58.357
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -53.964
flat angles P-C4'-P energy: -28.327
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: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -763.547146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.547146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.547146 (E_RNA)
where:
Base-Base interactions energy: -497.401
where: short stacking energy: -223.694
Base-Backbone interact. energy: 0.970
local terms energy: -267.116318
where:
bonds (distance) C4'-P energy: -53.000
bonds (distance) P-C4' energy: -60.924
flat angles C4'-P-C4' energy: -63.927
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -52.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -705.441186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.441186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.441186 (E_RNA)
where:
Base-Base interactions energy: -459.827
where: short stacking energy: -213.283
Base-Backbone interact. energy: -1.303
local terms energy: -244.310643
where:
bonds (distance) C4'-P energy: -45.482
bonds (distance) P-C4' energy: -59.959
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -46.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -577.678630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.678630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.678630 (E_RNA)
where:
Base-Base interactions energy: -350.484
where: short stacking energy: -178.965
Base-Backbone interact. energy: 1.533
local terms energy: -228.727696
where:
bonds (distance) C4'-P energy: -55.961
bonds (distance) P-C4' energy: -49.399
flat angles C4'-P-C4' energy: -59.274
flat angles P-C4'-P energy: -24.241
tors. eta vs tors. theta energy: -39.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -416.201307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.201307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.201307 (E_RNA)
where:
Base-Base interactions energy: -211.658
where: short stacking energy: -111.605
Base-Backbone interact. energy: 1.112
local terms energy: -205.655634
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -60.998
flat angles C4'-P-C4' energy: -49.534
flat angles P-C4'-P energy: -26.430
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: 9, replica: 6
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -348.068877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.068877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.068877 (E_RNA)
where:
Base-Base interactions energy: -165.231
where: short stacking energy: -98.684
Base-Backbone interact. energy: -0.478
local terms energy: -182.360236
where:
bonds (distance) C4'-P energy: -45.129
bonds (distance) P-C4' energy: -55.320
flat angles C4'-P-C4' energy: -51.637
flat angles P-C4'-P energy: -29.557
tors. eta vs tors. theta energy: -0.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -279.317090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.317090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.317090 (E_RNA)
where:
Base-Base interactions energy: -118.075
where: short stacking energy: -84.710
Base-Backbone interact. energy: -0.948
local terms energy: -160.294085
where:
bonds (distance) C4'-P energy: -47.281
bonds (distance) P-C4' energy: -54.392
flat angles C4'-P-C4' energy: -30.407
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -3.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 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: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -866.674797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.674797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.674797 (E_RNA)
where:
Base-Base interactions energy: -577.722
where: short stacking energy: -263.917
Base-Backbone interact. energy: -2.641
local terms energy: -286.312532
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -55.158
flat angles C4'-P-C4' energy: -58.911
flat angles P-C4'-P energy: -40.566
tors. eta vs tors. theta energy: -72.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -961.029374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.029374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.029374 (E_RNA)
where:
Base-Base interactions energy: -649.282
where: short stacking energy: -279.531
Base-Backbone interact. energy: -1.124
local terms energy: -310.622542
where:
bonds (distance) C4'-P energy: -60.314
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -72.643
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: -77.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -841.137002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.137002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.137002 (E_RNA)
where:
Base-Base interactions energy: -578.877
where: short stacking energy: -259.123
Base-Backbone interact. energy: -0.913
local terms energy: -261.347730
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -60.535
flat angles C4'-P-C4' energy: -59.580
flat angles P-C4'-P energy: -31.934
tors. eta vs tors. theta energy: -64.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -735.026366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.026366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.026366 (E_RNA)
where:
Base-Base interactions energy: -474.929
where: short stacking energy: -241.734
Base-Backbone interact. energy: -1.194
local terms energy: -258.903234
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -54.488
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -34.138
tors. eta vs tors. theta energy: -57.253
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: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -735.946877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.946877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.946877 (E_RNA)
where:
Base-Base interactions energy: -477.450
where: short stacking energy: -236.651
Base-Backbone interact. energy: -1.655
local terms energy: -256.841291
where:
bonds (distance) C4'-P energy: -53.204
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -51.966
flat angles P-C4'-P energy: -36.292
tors. eta vs tors. theta energy: -64.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -613.626928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.626928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.626928 (E_RNA)
where:
Base-Base interactions energy: -366.149
where: short stacking energy: -172.203
Base-Backbone interact. energy: 2.191
local terms energy: -249.669463
where:
bonds (distance) C4'-P energy: -58.476
bonds (distance) P-C4' energy: -60.820
flat angles C4'-P-C4' energy: -61.595
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -30.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -449.891307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.891307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.891307 (E_RNA)
where:
Base-Base interactions energy: -263.533
where: short stacking energy: -155.228
Base-Backbone interact. energy: 0.314
local terms energy: -186.672707
where:
bonds (distance) C4'-P energy: -40.754
bonds (distance) P-C4' energy: -30.936
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -34.998
tors. eta vs tors. theta energy: -28.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -342.324626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.324626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.324626 (E_RNA)
where:
Base-Base interactions energy: -148.435
where: short stacking energy: -90.686
Base-Backbone interact. energy: -1.510
local terms energy: -192.380354
where:
bonds (distance) C4'-P energy: -56.661
bonds (distance) P-C4' energy: -53.454
flat angles C4'-P-C4' energy: -49.915
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -269.166904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.166904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.166904 (E_RNA)
where:
Base-Base interactions energy: -115.080
where: short stacking energy: -77.019
Base-Backbone interact. energy: 0.022
local terms energy: -154.109091
where:
bonds (distance) C4'-P energy: -48.209
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -48.091
flat angles P-C4'-P energy: -19.000
tors. eta vs tors. theta energy: 12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 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: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -969.594955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.594955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.594955 (E_RNA)
where:
Base-Base interactions energy: -670.477
where: short stacking energy: -278.485
Base-Backbone interact. energy: -0.016
local terms energy: -299.101762
where:
bonds (distance) C4'-P energy: -60.834
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -67.085
flat angles P-C4'-P energy: -38.141
tors. eta vs tors. theta energy: -72.984
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: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -887.787033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.787033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.787033 (E_RNA)
where:
Base-Base interactions energy: -592.408
where: short stacking energy: -281.282
Base-Backbone interact. energy: -0.540
local terms energy: -294.839565
where:
bonds (distance) C4'-P energy: -61.930
bonds (distance) P-C4' energy: -60.832
flat angles C4'-P-C4' energy: -59.794
flat angles P-C4'-P energy: -44.864
tors. eta vs tors. theta energy: -67.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -889.316805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.316805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.316805 (E_RNA)
where:
Base-Base interactions energy: -604.091
where: short stacking energy: -252.500
Base-Backbone interact. energy: -1.382
local terms energy: -283.843465
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -61.595
flat angles C4'-P-C4' energy: -64.602
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -65.561
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: 23
Temperature: 1.100000
Total energy: -750.051352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.051352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.051352 (E_RNA)
where:
Base-Base interactions energy: -494.563
where: short stacking energy: -222.803
Base-Backbone interact. energy: -1.571
local terms energy: -253.916836
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -64.345
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -51.131
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: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -733.727059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.727059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.727059 (E_RNA)
where:
Base-Base interactions energy: -474.848
where: short stacking energy: -230.800
Base-Backbone interact. energy: -2.214
local terms energy: -256.665617
where:
bonds (distance) C4'-P energy: -48.424
bonds (distance) P-C4' energy: -52.281
flat angles C4'-P-C4' energy: -49.536
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -64.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -657.913962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.913962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.913962 (E_RNA)
where:
Base-Base interactions energy: -404.236
where: short stacking energy: -210.354
Base-Backbone interact. energy: -0.701
local terms energy: -252.977294
where:
bonds (distance) C4'-P energy: -59.644
bonds (distance) P-C4' energy: -51.969
flat angles C4'-P-C4' energy: -65.874
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -46.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -504.079356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.079356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.079356 (E_RNA)
where:
Base-Base interactions energy: -292.158
where: short stacking energy: -148.290
Base-Backbone interact. energy: -0.488
local terms energy: -211.433566
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -56.452
flat angles C4'-P-C4' energy: -50.422
flat angles P-C4'-P energy: -25.611
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -429.119318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.119318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.119318 (E_RNA)
where:
Base-Base interactions energy: -247.354
where: short stacking energy: -121.597
Base-Backbone interact. energy: -0.556
local terms energy: -181.208742
where:
bonds (distance) C4'-P energy: -49.927
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -21.147
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -278.139898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.139898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.139898 (E_RNA)
where:
Base-Base interactions energy: -97.549
where: short stacking energy: -90.566
Base-Backbone interact. energy: 0.234
local terms energy: -180.824844
where:
bonds (distance) C4'-P energy: -38.358
bonds (distance) P-C4' energy: -59.560
flat angles C4'-P-C4' energy: -47.335
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: 2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1000.586098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.586098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.586098 (E_RNA)
where:
Base-Base interactions energy: -680.454
where: short stacking energy: -304.413
Base-Backbone interact. energy: 0.488
local terms energy: -320.619812
where:
bonds (distance) C4'-P energy: -58.921
bonds (distance) P-C4' energy: -67.026
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -50.428
tors. eta vs tors. theta energy: -82.860
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: 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: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -942.248788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.248788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.248788 (E_RNA)
where:
Base-Base interactions energy: -631.918
where: short stacking energy: -274.900
Base-Backbone interact. energy: 0.512
local terms energy: -310.842919
where:
bonds (distance) C4'-P energy: -64.645
bonds (distance) P-C4' energy: -63.196
flat angles C4'-P-C4' energy: -70.959
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -74.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -824.407754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.407754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.407754 (E_RNA)
where:
Base-Base interactions energy: -554.093
where: short stacking energy: -261.516
Base-Backbone interact. energy: -3.038
local terms energy: -267.276399
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -53.995
flat angles C4'-P-C4' energy: -59.078
flat angles P-C4'-P energy: -34.829
tors. eta vs tors. theta energy: -67.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -759.308722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.308722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.308722 (E_RNA)
where:
Base-Base interactions energy: -488.744
where: short stacking energy: -223.028
Base-Backbone interact. energy: -2.832
local terms energy: -267.733350
where:
bonds (distance) C4'-P energy: -55.936
bonds (distance) P-C4' energy: -54.898
flat angles C4'-P-C4' energy: -58.894
flat angles P-C4'-P energy: -48.043
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: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -695.978431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.978431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.978431 (E_RNA)
where:
Base-Base interactions energy: -460.221
where: short stacking energy: -219.729
Base-Backbone interact. energy: -2.443
local terms energy: -233.314951
where:
bonds (distance) C4'-P energy: -41.733
bonds (distance) P-C4' energy: -58.568
flat angles C4'-P-C4' energy: -50.809
flat angles P-C4'-P energy: -29.923
tors. eta vs tors. theta energy: -52.282
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: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -585.351670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.351670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.351670 (E_RNA)
where:
Base-Base interactions energy: -360.996
where: short stacking energy: -174.297
Base-Backbone interact. energy: 0.319
local terms energy: -224.675294
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -50.777
flat angles P-C4'-P energy: -33.161
tors. eta vs tors. theta energy: -38.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -516.116806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.116806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.116806 (E_RNA)
where:
Base-Base interactions energy: -301.576
where: short stacking energy: -172.801
Base-Backbone interact. energy: 0.823
local terms energy: -215.363967
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -55.906
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -31.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -430.758999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.758999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.758999 (E_RNA)
where:
Base-Base interactions energy: -221.353
where: short stacking energy: -132.418
Base-Backbone interact. energy: -0.409
local terms energy: -208.997117
where:
bonds (distance) C4'-P energy: -42.306
bonds (distance) P-C4' energy: -64.938
flat angles C4'-P-C4' energy: -44.405
flat angles P-C4'-P energy: -41.791
tors. eta vs tors. theta energy: -15.557
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: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -265.702911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.702911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.702911 (E_RNA)
where:
Base-Base interactions energy: -88.357
where: short stacking energy: -78.095
Base-Backbone interact. energy: -1.864
local terms energy: -175.481934
where:
bonds (distance) C4'-P energy: -43.610
bonds (distance) P-C4' energy: -66.170
flat angles C4'-P-C4' energy: -52.953
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: 9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1002.140546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.140546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.140546 (E_RNA)
where:
Base-Base interactions energy: -693.395
where: short stacking energy: -295.727
Base-Backbone interact. energy: -0.963
local terms energy: -307.782908
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -61.582
flat angles P-C4'-P energy: -47.498
tors. eta vs tors. theta energy: -77.911
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: 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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -935.804829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.804829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.804829 (E_RNA)
where:
Base-Base interactions energy: -667.326
where: short stacking energy: -288.649
Base-Backbone interact. energy: -1.035
local terms energy: -267.444399
where:
bonds (distance) C4'-P energy: -50.814
bonds (distance) P-C4' energy: -44.801
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -74.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -822.905281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.905281 (E_RNA)
where:
Base-Base interactions energy: -558.161
where: short stacking energy: -260.078
Base-Backbone interact. energy: -1.301
local terms energy: -263.443478
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -61.503
flat angles P-C4'-P energy: -29.279
tors. eta vs tors. theta energy: -67.780
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: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -736.389494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.389494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.389494 (E_RNA)
where:
Base-Base interactions energy: -480.806
where: short stacking energy: -222.404
Base-Backbone interact. energy: -2.124
local terms energy: -253.459492
where:
bonds (distance) C4'-P energy: -54.884
bonds (distance) P-C4' energy: -53.275
flat angles C4'-P-C4' energy: -62.523
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -49.434
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: 2
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -696.402765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.402765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.402765 (E_RNA)
where:
Base-Base interactions energy: -468.494
where: short stacking energy: -198.387
Base-Backbone interact. energy: -3.823
local terms energy: -224.085433
where:
bonds (distance) C4'-P energy: -42.974
bonds (distance) P-C4' energy: -51.918
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -48.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -590.681230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.681230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.681230 (E_RNA)
where:
Base-Base interactions energy: -362.365
where: short stacking energy: -176.153
Base-Backbone interact. energy: -1.408
local terms energy: -226.907537
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -43.280
flat angles P-C4'-P energy: -39.431
tors. eta vs tors. theta energy: -31.360
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: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -555.333363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.333363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.333363 (E_RNA)
where:
Base-Base interactions energy: -356.444
where: short stacking energy: -176.417
Base-Backbone interact. energy: 0.744
local terms energy: -199.632953
where:
bonds (distance) C4'-P energy: -38.571
bonds (distance) P-C4' energy: -51.041
flat angles C4'-P-C4' energy: -52.495
flat angles P-C4'-P energy: -35.700
tors. eta vs tors. theta energy: -21.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -439.121328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.121328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.121328 (E_RNA)
where:
Base-Base interactions energy: -248.923
where: short stacking energy: -131.266
Base-Backbone interact. energy: -1.929
local terms energy: -188.269937
where:
bonds (distance) C4'-P energy: -48.661
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -50.956
flat angles P-C4'-P energy: -22.278
tors. eta vs tors. theta energy: -14.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -288.626510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.626510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.626510 (E_RNA)
where:
Base-Base interactions energy: -145.311
where: short stacking energy: -99.765
Base-Backbone interact. energy: 1.940
local terms energy: -145.256181
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -44.251
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -17.600
tors. eta vs tors. theta energy: 10.406
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: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1014.362734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.362734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.362734 (E_RNA)
where:
Base-Base interactions energy: -692.480
where: short stacking energy: -294.913
Base-Backbone interact. energy: 0.047
local terms energy: -321.929548
where:
bonds (distance) C4'-P energy: -63.556
bonds (distance) P-C4' energy: -63.167
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -77.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 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: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -900.858256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.858256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.858256 (E_RNA)
where:
Base-Base interactions energy: -632.353
where: short stacking energy: -280.862
Base-Backbone interact. energy: -0.102
local terms energy: -268.403924
where:
bonds (distance) C4'-P energy: -44.886
bonds (distance) P-C4' energy: -46.145
flat angles C4'-P-C4' energy: -67.939
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -72.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -814.150806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.150806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.150806 (E_RNA)
where:
Base-Base interactions energy: -525.889
where: short stacking energy: -241.236
Base-Backbone interact. energy: -0.117
local terms energy: -288.144748
where:
bonds (distance) C4'-P energy: -65.207
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -62.686
flat angles P-C4'-P energy: -48.626
tors. eta vs tors. theta energy: -56.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -741.768197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.768197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.768197 (E_RNA)
where:
Base-Base interactions energy: -493.584
where: short stacking energy: -236.535
Base-Backbone interact. energy: 0.875
local terms energy: -249.059381
where:
bonds (distance) C4'-P energy: -52.676
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -49.208
flat angles P-C4'-P energy: -32.088
tors. eta vs tors. theta energy: -50.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -698.877939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.877939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.877939 (E_RNA)
where:
Base-Base interactions energy: -447.804
where: short stacking energy: -196.761
Base-Backbone interact. energy: -1.477
local terms energy: -249.597486
where:
bonds (distance) C4'-P energy: -53.872
bonds (distance) P-C4' energy: -47.267
flat angles C4'-P-C4' energy: -64.248
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -49.093
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: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -602.514348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.514348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.514348 (E_RNA)
where:
Base-Base interactions energy: -376.467
where: short stacking energy: -173.278
Base-Backbone interact. energy: 2.809
local terms energy: -228.855707
where:
bonds (distance) C4'-P energy: -53.967
bonds (distance) P-C4' energy: -48.713
flat angles C4'-P-C4' energy: -59.669
flat angles P-C4'-P energy: -32.950
tors. eta vs tors. theta energy: -33.557
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -571.299168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.299168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.299168 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -199.090
Base-Backbone interact. energy: -1.303
local terms energy: -225.836047
where:
bonds (distance) C4'-P energy: -52.299
bonds (distance) P-C4' energy: -44.460
flat angles C4'-P-C4' energy: -58.078
flat angles P-C4'-P energy: -23.798
tors. eta vs tors. theta energy: -47.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -436.812022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.812022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.812022 (E_RNA)
where:
Base-Base interactions energy: -246.173
where: short stacking energy: -137.961
Base-Backbone interact. energy: -1.069
local terms energy: -189.570038
where:
bonds (distance) C4'-P energy: -46.084
bonds (distance) P-C4' energy: -59.433
flat angles C4'-P-C4' energy: -44.727
flat angles P-C4'-P energy: -26.271
tors. eta vs tors. theta energy: -13.056
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -343.302733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.302733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.302733 (E_RNA)
where:
Base-Base interactions energy: -169.103
where: short stacking energy: -110.359
Base-Backbone interact. energy: 2.113
local terms energy: -176.312240
where:
bonds (distance) C4'-P energy: -38.965
bonds (distance) P-C4' energy: -56.774
flat angles C4'-P-C4' energy: -51.392
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1000.555088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.555088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.555088 (E_RNA)
where:
Base-Base interactions energy: -693.715
where: short stacking energy: -299.985
Base-Backbone interact. energy: -1.348
local terms energy: -305.491675
where:
bonds (distance) C4'-P energy: -55.723
bonds (distance) P-C4' energy: -65.122
flat angles C4'-P-C4' energy: -64.537
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -72.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -928.145208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.145208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.145208 (E_RNA)
where:
Base-Base interactions energy: -633.462
where: short stacking energy: -269.532
Base-Backbone interact. energy: -1.964
local terms energy: -292.718479
where:
bonds (distance) C4'-P energy: -61.508
bonds (distance) P-C4' energy: -56.086
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -69.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 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: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -751.971338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.971338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.971338 (E_RNA)
where:
Base-Base interactions energy: -481.435
where: short stacking energy: -219.588
Base-Backbone interact. energy: -0.928
local terms energy: -269.608221
where:
bonds (distance) C4'-P energy: -51.656
bonds (distance) P-C4' energy: -66.088
flat angles C4'-P-C4' energy: -58.745
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -53.464
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: 10
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -753.258303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.258303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.258303 (E_RNA)
where:
Base-Base interactions energy: -503.430
where: short stacking energy: -216.069
Base-Backbone interact. energy: -2.849
local terms energy: -246.979821
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -49.663
flat angles P-C4'-P energy: -35.804
tors. eta vs tors. theta energy: -45.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -692.317439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.317439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.317439 (E_RNA)
where:
Base-Base interactions energy: -443.335
where: short stacking energy: -203.796
Base-Backbone interact. energy: -1.283
local terms energy: -247.699429
where:
bonds (distance) C4'-P energy: -50.156
bonds (distance) P-C4' energy: -57.729
flat angles C4'-P-C4' energy: -60.128
flat angles P-C4'-P energy: -27.630
tors. eta vs tors. theta energy: -52.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -632.864139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.864139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.864139 (E_RNA)
where:
Base-Base interactions energy: -384.149
where: short stacking energy: -191.909
Base-Backbone interact. energy: -2.060
local terms energy: -246.655258
where:
bonds (distance) C4'-P energy: -54.220
bonds (distance) P-C4' energy: -56.517
flat angles C4'-P-C4' energy: -56.856
flat angles P-C4'-P energy: -40.128
tors. eta vs tors. theta energy: -38.935
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: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -533.049983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.049983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.049983 (E_RNA)
where:
Base-Base interactions energy: -317.770
where: short stacking energy: -151.234
Base-Backbone interact. energy: 1.971
local terms energy: -217.251221
where:
bonds (distance) C4'-P energy: -47.112
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -61.395
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -511.072574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.072574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.072574 (E_RNA)
where:
Base-Base interactions energy: -306.866
where: short stacking energy: -164.512
Base-Backbone interact. energy: 3.268
local terms energy: -207.473756
where:
bonds (distance) C4'-P energy: -39.959
bonds (distance) P-C4' energy: -53.801
flat angles C4'-P-C4' energy: -49.544
flat angles P-C4'-P energy: -33.128
tors. eta vs tors. theta energy: -31.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -352.669053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.669053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.669053 (E_RNA)
where:
Base-Base interactions energy: -171.415
where: short stacking energy: -94.444
Base-Backbone interact. energy: 4.166
local terms energy: -185.419541
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -57.726
flat angles C4'-P-C4' energy: -47.312
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: 10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1000.754809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.754809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.754809 (E_RNA)
where:
Base-Base interactions energy: -696.691
where: short stacking energy: -291.498
Base-Backbone interact. energy: -1.578
local terms energy: -302.485931
where:
bonds (distance) C4'-P energy: -62.932
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -67.199
flat angles P-C4'-P energy: -42.975
tors. eta vs tors. theta energy: -77.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -954.666718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.666718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.666718 (E_RNA)
where:
Base-Base interactions energy: -635.695
where: short stacking energy: -279.527
Base-Backbone interact. energy: -1.375
local terms energy: -317.596894
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -67.453
flat angles P-C4'-P energy: -43.565
tors. eta vs tors. theta energy: -82.650
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: 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: 8
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -787.887421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.887421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.887421 (E_RNA)
where:
Base-Base interactions energy: -529.551
where: short stacking energy: -238.805
Base-Backbone interact. energy: -1.606
local terms energy: -256.729974
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -58.379
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -56.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -755.401486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.401486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.401486 (E_RNA)
where:
Base-Base interactions energy: -495.932
where: short stacking energy: -222.599
Base-Backbone interact. energy: -1.683
local terms energy: -257.786590
where:
bonds (distance) C4'-P energy: -51.833
bonds (distance) P-C4' energy: -64.215
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -22.922
tors. eta vs tors. theta energy: -56.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -770.008377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.008377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.008377 (E_RNA)
where:
Base-Base interactions energy: -531.889
where: short stacking energy: -241.145
Base-Backbone interact. energy: -0.470
local terms energy: -237.649302
where:
bonds (distance) C4'-P energy: -41.840
bonds (distance) P-C4' energy: -47.132
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -40.275
tors. eta vs tors. theta energy: -53.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -655.406390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.406390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.406390 (E_RNA)
where:
Base-Base interactions energy: -430.083
where: short stacking energy: -174.957
Base-Backbone interact. energy: -1.844
local terms energy: -223.479972
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -55.162
flat angles P-C4'-P energy: -34.083
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -556.788196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.788196 (E_RNA)
where:
Base-Base interactions energy: -348.372
where: short stacking energy: -158.449
Base-Backbone interact. energy: 0.573
local terms energy: -208.988789
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -44.859
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -542.529050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.529050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.529050 (E_RNA)
where:
Base-Base interactions energy: -340.561
where: short stacking energy: -146.172
Base-Backbone interact. energy: -0.572
local terms energy: -201.396122
where:
bonds (distance) C4'-P energy: -49.272
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -50.855
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -361.053703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.053703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.053703 (E_RNA)
where:
Base-Base interactions energy: -187.137
where: short stacking energy: -107.043
Base-Backbone interact. energy: 8.277
local terms energy: -182.192814
where:
bonds (distance) C4'-P energy: -40.350
bonds (distance) P-C4' energy: -51.587
flat angles C4'-P-C4' energy: -48.426
flat angles P-C4'-P energy: -32.168
tors. eta vs tors. theta energy: -9.661
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: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1001.341718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.341718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.341718 (E_RNA)
where:
Base-Base interactions energy: -671.454
where: short stacking energy: -290.701
Base-Backbone interact. energy: -1.319
local terms energy: -328.568687
where:
bonds (distance) C4'-P energy: -67.257
bonds (distance) P-C4' energy: -64.447
flat angles C4'-P-C4' energy: -68.555
flat angles P-C4'-P energy: -47.981
tors. eta vs tors. theta energy: -80.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -964.495238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.495238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.495238 (E_RNA)
where:
Base-Base interactions energy: -660.256
where: short stacking energy: -284.027
Base-Backbone interact. energy: -2.318
local terms energy: -301.921442
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -60.409
flat angles C4'-P-C4' energy: -65.480
flat angles P-C4'-P energy: -35.004
tors. eta vs tors. theta energy: -77.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -799.435393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.435393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.435393 (E_RNA)
where:
Base-Base interactions energy: -524.298
where: short stacking energy: -238.660
Base-Backbone interact. energy: -1.444
local terms energy: -273.693177
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -52.693
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -62.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -760.143567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.143567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.143567 (E_RNA)
where:
Base-Base interactions energy: -512.286
where: short stacking energy: -242.840
Base-Backbone interact. energy: -0.409
local terms energy: -247.449123
where:
bonds (distance) C4'-P energy: -58.844
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -48.906
flat angles P-C4'-P energy: -31.795
tors. eta vs tors. theta energy: -52.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -764.440337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.440337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.440337 (E_RNA)
where:
Base-Base interactions energy: -500.879
where: short stacking energy: -219.775
Base-Backbone interact. energy: -1.318
local terms energy: -262.243105
where:
bonds (distance) C4'-P energy: -49.816
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -44.324
tors. eta vs tors. theta energy: -51.558
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: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -704.741816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.741816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.741816 (E_RNA)
where:
Base-Base interactions energy: -451.814
where: short stacking energy: -199.135
Base-Backbone interact. energy: -1.250
local terms energy: -251.677630
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -53.341
flat angles C4'-P-C4' energy: -60.838
flat angles P-C4'-P energy: -44.568
tors. eta vs tors. theta energy: -39.373
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: 29
Temperature: 1.250000
Total energy: -601.938426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.938426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.938426 (E_RNA)
where:
Base-Base interactions energy: -388.417
where: short stacking energy: -192.280
Base-Backbone interact. energy: -0.619
local terms energy: -212.902386
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -60.339
flat angles C4'-P-C4' energy: -48.690
flat angles P-C4'-P energy: -28.977
tors. eta vs tors. theta energy: -28.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -527.818943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.818943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.818943 (E_RNA)
where:
Base-Base interactions energy: -327.489
where: short stacking energy: -146.717
Base-Backbone interact. energy: 0.948
local terms energy: -201.278514
where:
bonds (distance) C4'-P energy: -51.694
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -30.782
tors. eta vs tors. theta energy: -22.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -358.613432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.613432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.613432 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -104.192
Base-Backbone interact. energy: -0.892
local terms energy: -172.450898
where:
bonds (distance) C4'-P energy: -49.047
bonds (distance) P-C4' energy: -59.726
flat angles C4'-P-C4' energy: -37.896
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1007.970771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.970771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.970771 (E_RNA)
where:
Base-Base interactions energy: -707.478
where: short stacking energy: -299.012
Base-Backbone interact. energy: -2.036
local terms energy: -298.456071
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -51.721
flat angles C4'-P-C4' energy: -61.763
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -78.546
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -951.271981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.271981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.271981 (E_RNA)
where:
Base-Base interactions energy: -668.046
where: short stacking energy: -283.718
Base-Backbone interact. energy: -1.293
local terms energy: -281.933199
where:
bonds (distance) C4'-P energy: -60.387
bonds (distance) P-C4' energy: -51.625
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -29.655
tors. eta vs tors. theta energy: -73.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -816.414132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.414132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.414132 (E_RNA)
where:
Base-Base interactions energy: -540.526
where: short stacking energy: -249.362
Base-Backbone interact. energy: -0.927
local terms energy: -274.961539
where:
bonds (distance) C4'-P energy: -59.126
bonds (distance) P-C4' energy: -51.544
flat angles C4'-P-C4' energy: -58.110
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -61.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -803.258679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.258679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.258679 (E_RNA)
where:
Base-Base interactions energy: -527.803
where: short stacking energy: -240.293
Base-Backbone interact. energy: -0.304
local terms energy: -275.151568
where:
bonds (distance) C4'-P energy: -57.207
bonds (distance) P-C4' energy: -51.187
flat angles C4'-P-C4' energy: -61.343
flat angles P-C4'-P energy: -44.120
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -759.468794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.468794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.468794 (E_RNA)
where:
Base-Base interactions energy: -513.001
where: short stacking energy: -207.048
Base-Backbone interact. energy: 0.770
local terms energy: -247.237849
where:
bonds (distance) C4'-P energy: -50.532
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -36.591
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -687.212629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.212629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.212629 (E_RNA)
where:
Base-Base interactions energy: -463.429
where: short stacking energy: -212.660
Base-Backbone interact. energy: -1.350
local terms energy: -222.433458
where:
bonds (distance) C4'-P energy: -37.956
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -52.294
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -626.949718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.949718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.949718 (E_RNA)
where:
Base-Base interactions energy: -396.882
where: short stacking energy: -200.200
Base-Backbone interact. energy: -0.962
local terms energy: -229.105655
where:
bonds (distance) C4'-P energy: -47.100
bonds (distance) P-C4' energy: -48.349
flat angles C4'-P-C4' energy: -53.313
flat angles P-C4'-P energy: -36.170
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -510.421457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.421457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.421457 (E_RNA)
where:
Base-Base interactions energy: -326.516
where: short stacking energy: -153.806
Base-Backbone interact. energy: -2.237
local terms energy: -181.667892
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -30.008
flat angles C4'-P-C4' energy: -55.288
flat angles P-C4'-P energy: -24.293
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -326.104133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.104133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.104133 (E_RNA)
where:
Base-Base interactions energy: -168.541
where: short stacking energy: -105.777
Base-Backbone interact. energy: 0.079
local terms energy: -157.642403
where:
bonds (distance) C4'-P energy: -42.083
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -40.456
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1012.140062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.140062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.140062 (E_RNA)
where:
Base-Base interactions energy: -704.074
where: short stacking energy: -302.277
Base-Backbone interact. energy: -0.754
local terms energy: -307.312382
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -62.199
flat angles C4'-P-C4' energy: -65.725
flat angles P-C4'-P energy: -48.288
tors. eta vs tors. theta energy: -74.338
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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -966.815932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.815932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.815932 (E_RNA)
where:
Base-Base interactions energy: -667.299
where: short stacking energy: -285.121
Base-Backbone interact. energy: -0.960
local terms energy: -298.556615
where:
bonds (distance) C4'-P energy: -63.072
bonds (distance) P-C4' energy: -58.989
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -37.068
tors. eta vs tors. theta energy: -72.820
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: 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: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -877.099952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.099952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.099952 (E_RNA)
where:
Base-Base interactions energy: -581.755
where: short stacking energy: -266.853
Base-Backbone interact. energy: -1.669
local terms energy: -293.676741
where:
bonds (distance) C4'-P energy: -51.917
bonds (distance) P-C4' energy: -61.180
flat angles C4'-P-C4' energy: -63.482
flat angles P-C4'-P energy: -44.166
tors. eta vs tors. theta energy: -72.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -802.226651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.226651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.226651 (E_RNA)
where:
Base-Base interactions energy: -527.250
where: short stacking energy: -225.108
Base-Backbone interact. energy: -1.310
local terms energy: -273.666545
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -57.995
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -62.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -775.037811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.037811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.037811 (E_RNA)
where:
Base-Base interactions energy: -522.156
where: short stacking energy: -223.845
Base-Backbone interact. energy: -0.962
local terms energy: -251.919647
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -55.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -675.056765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.056765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.056765 (E_RNA)
where:
Base-Base interactions energy: -434.036
where: short stacking energy: -190.485
Base-Backbone interact. energy: -2.207
local terms energy: -238.814487
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -55.457
flat angles C4'-P-C4' energy: -53.354
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -655.587586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.587586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.587586 (E_RNA)
where:
Base-Base interactions energy: -414.406
where: short stacking energy: -214.709
Base-Backbone interact. energy: -0.201
local terms energy: -240.980832
where:
bonds (distance) C4'-P energy: -48.235
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -55.502
flat angles P-C4'-P energy: -26.967
tors. eta vs tors. theta energy: -58.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -472.681892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.681892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.681892 (E_RNA)
where:
Base-Base interactions energy: -283.937
where: short stacking energy: -145.322
Base-Backbone interact. energy: -1.428
local terms energy: -187.316594
where:
bonds (distance) C4'-P energy: -47.410
bonds (distance) P-C4' energy: -51.140
flat angles C4'-P-C4' energy: -52.136
flat angles P-C4'-P energy: -22.064
tors. eta vs tors. theta energy: -14.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -329.746987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.746987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.746987 (E_RNA)
where:
Base-Base interactions energy: -160.150
where: short stacking energy: -83.131
Base-Backbone interact. energy: 0.151
local terms energy: -169.748642
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -49.591
flat angles C4'-P-C4' energy: -38.860
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: 10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1008.007669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.007669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.007669 (E_RNA)
where:
Base-Base interactions energy: -689.055
where: short stacking energy: -295.688
Base-Backbone interact. energy: -0.122
local terms energy: -318.830119
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -61.743
flat angles C4'-P-C4' energy: -66.612
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -79.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -964.094172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.094172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.094172 (E_RNA)
where:
Base-Base interactions energy: -662.716
where: short stacking energy: -269.514
Base-Backbone interact. energy: -2.965
local terms energy: -298.412595
where:
bonds (distance) C4'-P energy: -60.370
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -57.927
flat angles P-C4'-P energy: -48.043
tors. eta vs tors. theta energy: -72.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 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: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -902.820649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.820649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.820649 (E_RNA)
where:
Base-Base interactions energy: -602.962
where: short stacking energy: -275.758
Base-Backbone interact. energy: -2.874
local terms energy: -296.984099
where:
bonds (distance) C4'-P energy: -52.391
bonds (distance) P-C4' energy: -62.804
flat angles C4'-P-C4' energy: -65.328
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: -74.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -787.705791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.705791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.705791 (E_RNA)
where:
Base-Base interactions energy: -525.399
where: short stacking energy: -235.366
Base-Backbone interact. energy: 0.752
local terms energy: -263.058707
where:
bonds (distance) C4'-P energy: -49.566
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -44.936
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -750.701322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.701322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.701322 (E_RNA)
where:
Base-Base interactions energy: -514.679
where: short stacking energy: -239.679
Base-Backbone interact. energy: -2.435
local terms energy: -233.587671
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -49.467
flat angles C4'-P-C4' energy: -56.618
flat angles P-C4'-P energy: -35.345
tors. eta vs tors. theta energy: -49.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -656.925655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.925655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.925655 (E_RNA)
where:
Base-Base interactions energy: -422.966
where: short stacking energy: -208.242
Base-Backbone interact. energy: 2.224
local terms energy: -236.184009
where:
bonds (distance) C4'-P energy: -47.816
bonds (distance) P-C4' energy: -52.208
flat angles C4'-P-C4' energy: -52.049
flat angles P-C4'-P energy: -36.338
tors. eta vs tors. theta energy: -47.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -571.170854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.170854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.170854 (E_RNA)
where:
Base-Base interactions energy: -372.535
where: short stacking energy: -156.875
Base-Backbone interact. energy: -2.071
local terms energy: -196.565093
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -41.550
flat angles C4'-P-C4' energy: -45.379
flat angles P-C4'-P energy: -36.482
tors. eta vs tors. theta energy: -25.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -454.837792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.837792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.837792 (E_RNA)
where:
Base-Base interactions energy: -241.554
where: short stacking energy: -136.482
Base-Backbone interact. energy: -0.235
local terms energy: -213.048877
where:
bonds (distance) C4'-P energy: -52.384
bonds (distance) P-C4' energy: -62.561
flat angles C4'-P-C4' energy: -45.856
flat angles P-C4'-P energy: -28.880
tors. eta vs tors. theta energy: -23.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -259.208034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.208034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.208034 (E_RNA)
where:
Base-Base interactions energy: -89.982
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.107
local terms energy: -169.118686
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -49.405
flat angles C4'-P-C4' energy: -40.900
flat angles P-C4'-P energy: -28.284
tors. eta vs tors. theta energy: 0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1003.118836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.118836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.118836 (E_RNA)
where:
Base-Base interactions energy: -691.929
where: short stacking energy: -301.117
Base-Backbone interact. energy: 2.517
local terms energy: -313.706412
where:
bonds (distance) C4'-P energy: -67.870
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -47.404
tors. eta vs tors. theta energy: -78.417
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: 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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -924.479920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.479920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.479920 (E_RNA)
where:
Base-Base interactions energy: -628.129
where: short stacking energy: -277.764
Base-Backbone interact. energy: -3.541
local terms energy: -292.810024
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -57.771
flat angles C4'-P-C4' energy: -59.415
flat angles P-C4'-P energy: -33.781
tors. eta vs tors. theta energy: -80.992
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: 10
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -881.672254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.672254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.672254 (E_RNA)
where:
Base-Base interactions energy: -589.123
where: short stacking energy: -262.855
Base-Backbone interact. energy: 0.512
local terms energy: -293.061698
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -66.947
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -69.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -798.616462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.616462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.616462 (E_RNA)
where:
Base-Base interactions energy: -513.418
where: short stacking energy: -229.433
Base-Backbone interact. energy: -0.481
local terms energy: -284.717202
where:
bonds (distance) C4'-P energy: -63.440
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -56.679
flat angles P-C4'-P energy: -50.712
tors. eta vs tors. theta energy: -57.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -763.775691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.775691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.775691 (E_RNA)
where:
Base-Base interactions energy: -505.088
where: short stacking energy: -222.901
Base-Backbone interact. energy: -1.451
local terms energy: -257.236553
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -56.391
flat angles P-C4'-P energy: -38.507
tors. eta vs tors. theta energy: -50.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -640.388107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.388107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.388107 (E_RNA)
where:
Base-Base interactions energy: -380.070
where: short stacking energy: -186.026
Base-Backbone interact. energy: -0.086
local terms energy: -260.232396
where:
bonds (distance) C4'-P energy: -49.213
bonds (distance) P-C4' energy: -58.483
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -573.634091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.634091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.634091 (E_RNA)
where:
Base-Base interactions energy: -378.395
where: short stacking energy: -158.347
Base-Backbone interact. energy: -0.328
local terms energy: -194.911350
where:
bonds (distance) C4'-P energy: -49.013
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -48.460
flat angles P-C4'-P energy: -31.037
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -484.090954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.090954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.090954 (E_RNA)
where:
Base-Base interactions energy: -271.289
where: short stacking energy: -144.527
Base-Backbone interact. energy: 0.419
local terms energy: -213.220250
where:
bonds (distance) C4'-P energy: -49.325
bonds (distance) P-C4' energy: -64.136
flat angles C4'-P-C4' energy: -51.909
flat angles P-C4'-P energy: -22.034
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -259.238992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.238992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.238992 (E_RNA)
where:
Base-Base interactions energy: -102.869
where: short stacking energy: -74.574
Base-Backbone interact. energy: -1.153
local terms energy: -155.216426
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -52.637
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1010.443460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.443460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.443460 (E_RNA)
where:
Base-Base interactions energy: -683.736
where: short stacking energy: -289.532
Base-Backbone interact. energy: 0.490
local terms energy: -327.197980
where:
bonds (distance) C4'-P energy: -63.242
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -69.532
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -79.969
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: 5
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -954.251770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.251770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.251770 (E_RNA)
where:
Base-Base interactions energy: -652.587
where: short stacking energy: -283.915
Base-Backbone interact. energy: -2.087
local terms energy: -299.577881
where:
bonds (distance) C4'-P energy: -58.970
bonds (distance) P-C4' energy: -50.234
flat angles C4'-P-C4' energy: -67.887
flat angles P-C4'-P energy: -52.552
tors. eta vs tors. theta energy: -69.936
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: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -900.129106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.129106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.129106 (E_RNA)
where:
Base-Base interactions energy: -609.503
where: short stacking energy: -274.392
Base-Backbone interact. energy: -1.099
local terms energy: -289.526984
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -66.230
flat angles P-C4'-P energy: -40.247
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: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -859.423102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.423102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.423102 (E_RNA)
where:
Base-Base interactions energy: -577.544
where: short stacking energy: -266.903
Base-Backbone interact. energy: -1.393
local terms energy: -280.486301
where:
bonds (distance) C4'-P energy: -60.849
bonds (distance) P-C4' energy: -52.963
flat angles C4'-P-C4' energy: -66.351
flat angles P-C4'-P energy: -35.786
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: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -806.974308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.974308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.974308 (E_RNA)
where:
Base-Base interactions energy: -536.546
where: short stacking energy: -247.250
Base-Backbone interact. energy: -0.295
local terms energy: -270.133782
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -54.813
flat angles C4'-P-C4' energy: -65.686
flat angles P-C4'-P energy: -41.837
tors. eta vs tors. theta energy: -54.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -765.860403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.860403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.860403 (E_RNA)
where:
Base-Base interactions energy: -521.200
where: short stacking energy: -232.298
Base-Backbone interact. energy: -1.503
local terms energy: -243.156747
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -50.638
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -55.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -677.330030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.330030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.330030 (E_RNA)
where:
Base-Base interactions energy: -425.680
where: short stacking energy: -188.282
Base-Backbone interact. energy: -1.233
local terms energy: -250.416386
where:
bonds (distance) C4'-P energy: -60.429
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -55.347
flat angles P-C4'-P energy: -33.833
tors. eta vs tors. theta energy: -44.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -593.207349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.207349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.207349 (E_RNA)
where:
Base-Base interactions energy: -356.972
where: short stacking energy: -160.333
Base-Backbone interact. energy: -1.064
local terms energy: -235.171379
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -54.718
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: -37.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -443.135086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.135086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.135086 (E_RNA)
where:
Base-Base interactions energy: -244.062
where: short stacking energy: -124.484
Base-Backbone interact. energy: -1.365
local terms energy: -197.708256
where:
bonds (distance) C4'-P energy: -56.503
bonds (distance) P-C4' energy: -53.069
flat angles C4'-P-C4' energy: -46.123
flat angles P-C4'-P energy: -30.317
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: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -273.044935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.044935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.044935 (E_RNA)
where:
Base-Base interactions energy: -92.948
where: short stacking energy: -77.577
Base-Backbone interact. energy: -1.090
local terms energy: -179.006936
where:
bonds (distance) C4'-P energy: -51.662
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -46.319
flat angles P-C4'-P energy: -35.426
tors. eta vs tors. theta energy: 11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -998.226609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.226609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.226609 (E_RNA)
where:
Base-Base interactions energy: -690.220
where: short stacking energy: -297.897
Base-Backbone interact. energy: -0.227
local terms energy: -307.780159
where:
bonds (distance) C4'-P energy: -62.203
bonds (distance) P-C4' energy: -58.996
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -77.068
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: 35
Temperature: 0.950000
Total energy: -949.970005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.970005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.970005 (E_RNA)
where:
Base-Base interactions energy: -640.916
where: short stacking energy: -268.049
Base-Backbone interact. energy: -3.723
local terms energy: -305.331348
where:
bonds (distance) C4'-P energy: -61.415
bonds (distance) P-C4' energy: -64.219
flat angles C4'-P-C4' energy: -68.096
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -71.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -901.917736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.917736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.917736 (E_RNA)
where:
Base-Base interactions energy: -613.880
where: short stacking energy: -254.011
Base-Backbone interact. energy: -2.268
local terms energy: -285.769159
where:
bonds (distance) C4'-P energy: -44.487
bonds (distance) P-C4' energy: -60.298
flat angles C4'-P-C4' energy: -54.262
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -78.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -836.999921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.999921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.999921 (E_RNA)
where:
Base-Base interactions energy: -575.662
where: short stacking energy: -264.616
Base-Backbone interact. energy: -0.960
local terms energy: -260.377758
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -70.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -839.204923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.204923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.204923 (E_RNA)
where:
Base-Base interactions energy: -559.119
where: short stacking energy: -252.411
Base-Backbone interact. energy: -0.538
local terms energy: -279.547939
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -60.928
flat angles P-C4'-P energy: -42.751
tors. eta vs tors. theta energy: -61.383
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: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -814.868989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.868989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.868989 (E_RNA)
where:
Base-Base interactions energy: -576.563
where: short stacking energy: -235.462
Base-Backbone interact. energy: 0.592
local terms energy: -238.897737
where:
bonds (distance) C4'-P energy: -58.893
bonds (distance) P-C4' energy: -38.993
flat angles C4'-P-C4' energy: -57.475
flat angles P-C4'-P energy: -32.189
tors. eta vs tors. theta energy: -51.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -698.956614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.956614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.956614 (E_RNA)
where:
Base-Base interactions energy: -465.109
where: short stacking energy: -223.702
Base-Backbone interact. energy: 3.467
local terms energy: -237.315088
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -49.561
flat angles C4'-P-C4' energy: -67.110
flat angles P-C4'-P energy: -36.677
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -601.224562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.224562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.224562 (E_RNA)
where:
Base-Base interactions energy: -390.833
where: short stacking energy: -169.520
Base-Backbone interact. energy: -3.024
local terms energy: -207.367779
where:
bonds (distance) C4'-P energy: -49.286
bonds (distance) P-C4' energy: -52.257
flat angles C4'-P-C4' energy: -46.448
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -490.878645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.878645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.878645 (E_RNA)
where:
Base-Base interactions energy: -298.079
where: short stacking energy: -123.248
Base-Backbone interact. energy: 3.008
local terms energy: -195.807703
where:
bonds (distance) C4'-P energy: -41.706
bonds (distance) P-C4' energy: -57.942
flat angles C4'-P-C4' energy: -49.821
flat angles P-C4'-P energy: -32.315
tors. eta vs tors. theta energy: -14.023
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: 35
Temperature: 1.350000
Total energy: -268.832813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.832813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.832813 (E_RNA)
where:
Base-Base interactions energy: -109.804
where: short stacking energy: -81.374
Base-Backbone interact. energy: -1.085
local terms energy: -157.944095
where:
bonds (distance) C4'-P energy: -44.180
bonds (distance) P-C4' energy: -52.287
flat angles C4'-P-C4' energy: -35.232
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: 9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -987.377552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.377552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.377552 (E_RNA)
where:
Base-Base interactions energy: -688.815
where: short stacking energy: -285.032
Base-Backbone interact. energy: -1.617
local terms energy: -296.945602
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -61.224
flat angles P-C4'-P energy: -44.282
tors. eta vs tors. theta energy: -71.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -985.784365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.784365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.784365 (E_RNA)
where:
Base-Base interactions energy: -671.652
where: short stacking energy: -295.681
Base-Backbone interact. energy: 0.163
local terms energy: -314.295723
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -71.770
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -83.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -910.836955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.836955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.836955 (E_RNA)
where:
Base-Base interactions energy: -618.559
where: short stacking energy: -273.489
Base-Backbone interact. energy: 2.129
local terms energy: -294.407636
where:
bonds (distance) C4'-P energy: -56.345
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -55.132
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -77.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -835.217979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.217979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.217979 (E_RNA)
where:
Base-Base interactions energy: -558.473
where: short stacking energy: -254.198
Base-Backbone interact. energy: -0.590
local terms energy: -276.155504
where:
bonds (distance) C4'-P energy: -62.227
bonds (distance) P-C4' energy: -50.254
flat angles C4'-P-C4' energy: -56.477
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -70.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -826.579456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.579456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.579456 (E_RNA)
where:
Base-Base interactions energy: -550.434
where: short stacking energy: -220.145
Base-Backbone interact. energy: -2.249
local terms energy: -273.896394
where:
bonds (distance) C4'-P energy: -60.875
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -51.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -792.589112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.589112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.589112 (E_RNA)
where:
Base-Base interactions energy: -541.240
where: short stacking energy: -236.562
Base-Backbone interact. energy: -1.746
local terms energy: -249.603016
where:
bonds (distance) C4'-P energy: -50.693
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -53.560
flat angles P-C4'-P energy: -35.905
tors. eta vs tors. theta energy: -61.126
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: 36
Temperature: 1.200000
Total energy: -730.339309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.339309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.339309 (E_RNA)
where:
Base-Base interactions energy: -473.477
where: short stacking energy: -219.455
Base-Backbone interact. energy: -1.270
local terms energy: -255.592083
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -61.034
flat angles C4'-P-C4' energy: -55.621
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -49.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -585.546016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.546016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.546016 (E_RNA)
where:
Base-Base interactions energy: -361.815
where: short stacking energy: -171.886
Base-Backbone interact. energy: 1.295
local terms energy: -225.025720
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -49.020
flat angles C4'-P-C4' energy: -54.539
flat angles P-C4'-P energy: -37.905
tors. eta vs tors. theta energy: -32.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -462.321745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.321745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.321745 (E_RNA)
where:
Base-Base interactions energy: -284.546
where: short stacking energy: -142.562
Base-Backbone interact. energy: 0.665
local terms energy: -178.440196
where:
bonds (distance) C4'-P energy: -47.443
bonds (distance) P-C4' energy: -36.607
flat angles C4'-P-C4' energy: -55.574
flat angles P-C4'-P energy: -23.568
tors. eta vs tors. theta energy: -15.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -267.125958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.125958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.125958 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -91.714
Base-Backbone interact. energy: 1.562
local terms energy: -164.827988
where:
bonds (distance) C4'-P energy: -53.130
bonds (distance) P-C4' energy: -57.849
flat angles C4'-P-C4' energy: -43.849
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: 4.921
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: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -996.925568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.925568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.925568 (E_RNA)
where:
Base-Base interactions energy: -699.226
where: short stacking energy: -287.504
Base-Backbone interact. energy: -0.685
local terms energy: -297.015258
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -71.310
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -74.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -993.735910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.735910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.735910 (E_RNA)
where:
Base-Base interactions energy: -683.514
where: short stacking energy: -290.530
Base-Backbone interact. energy: 0.970
local terms energy: -311.191175
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -66.365
flat angles C4'-P-C4' energy: -68.969
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -84.025
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: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -935.789754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.789754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.789754 (E_RNA)
where:
Base-Base interactions energy: -646.325
where: short stacking energy: -286.309
Base-Backbone interact. energy: -0.161
local terms energy: -289.303491
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -58.403
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -78.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -865.801229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.801229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.801229 (E_RNA)
where:
Base-Base interactions energy: -599.837
where: short stacking energy: -239.815
Base-Backbone interact. energy: -1.572
local terms energy: -264.392778
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -61.064
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -32.837
tors. eta vs tors. theta energy: -59.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -814.605438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.605438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.605438 (E_RNA)
where:
Base-Base interactions energy: -544.501
where: short stacking energy: -241.645
Base-Backbone interact. energy: -0.963
local terms energy: -269.140745
where:
bonds (distance) C4'-P energy: -55.455
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -58.443
flat angles P-C4'-P energy: -35.477
tors. eta vs tors. theta energy: -57.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -803.716907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.716907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.716907 (E_RNA)
where:
Base-Base interactions energy: -544.655
where: short stacking energy: -236.983
Base-Backbone interact. energy: -1.651
local terms energy: -257.410509
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -37.290
tors. eta vs tors. theta energy: -56.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -708.205395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.205395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.205395 (E_RNA)
where:
Base-Base interactions energy: -461.256
where: short stacking energy: -210.459
Base-Backbone interact. energy: -0.756
local terms energy: -246.194182
where:
bonds (distance) C4'-P energy: -44.541
bonds (distance) P-C4' energy: -58.784
flat angles C4'-P-C4' energy: -59.630
flat angles P-C4'-P energy: -37.825
tors. eta vs tors. theta energy: -45.414
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: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -592.790319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.790319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.790319 (E_RNA)
where:
Base-Base interactions energy: -381.172
where: short stacking energy: -186.736
Base-Backbone interact. energy: 1.666
local terms energy: -213.283977
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -48.454
flat angles C4'-P-C4' energy: -53.309
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -43.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -488.956362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.956362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.956362 (E_RNA)
where:
Base-Base interactions energy: -301.840
where: short stacking energy: -141.053
Base-Backbone interact. energy: 1.384
local terms energy: -188.500660
where:
bonds (distance) C4'-P energy: -41.377
bonds (distance) P-C4' energy: -58.920
flat angles C4'-P-C4' energy: -50.924
flat angles P-C4'-P energy: -30.247
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -290.963115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.963115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.963115 (E_RNA)
where:
Base-Base interactions energy: -109.648
where: short stacking energy: -83.017
Base-Backbone interact. energy: 5.641
local terms energy: -186.956229
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -57.659
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1009.532567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.532567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.532567 (E_RNA)
where:
Base-Base interactions energy: -689.418
where: short stacking energy: -311.332
Base-Backbone interact. energy: -0.959
local terms energy: -319.155367
where:
bonds (distance) C4'-P energy: -62.213
bonds (distance) P-C4' energy: -56.096
flat angles C4'-P-C4' energy: -68.069
flat angles P-C4'-P energy: -43.783
tors. eta vs tors. theta energy: -88.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -970.224343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.224343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.224343 (E_RNA)
where:
Base-Base interactions energy: -695.901
where: short stacking energy: -261.609
Base-Backbone interact. energy: -1.503
local terms energy: -272.820604
where:
bonds (distance) C4'-P energy: -51.920
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -64.477
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: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -939.529493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.529493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.529493 (E_RNA)
where:
Base-Base interactions energy: -644.287
where: short stacking energy: -284.126
Base-Backbone interact. energy: -1.159
local terms energy: -294.084291
where:
bonds (distance) C4'-P energy: -52.845
bonds (distance) P-C4' energy: -65.156
flat angles C4'-P-C4' energy: -61.303
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -76.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -844.371119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.371119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.371119 (E_RNA)
where:
Base-Base interactions energy: -594.358
where: short stacking energy: -249.919
Base-Backbone interact. energy: -0.963
local terms energy: -249.050851
where:
bonds (distance) C4'-P energy: -48.947
bonds (distance) P-C4' energy: -38.533
flat angles C4'-P-C4' energy: -64.732
flat angles P-C4'-P energy: -37.945
tors. eta vs tors. theta energy: -58.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -836.022183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.022183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.022183 (E_RNA)
where:
Base-Base interactions energy: -540.505
where: short stacking energy: -248.696
Base-Backbone interact. energy: -1.228
local terms energy: -294.289321
where:
bonds (distance) C4'-P energy: -66.730
bonds (distance) P-C4' energy: -54.214
flat angles C4'-P-C4' energy: -62.673
flat angles P-C4'-P energy: -41.773
tors. eta vs tors. theta energy: -68.899
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: 38
Temperature: 1.150000
Total energy: -790.130204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.130204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.130204 (E_RNA)
where:
Base-Base interactions energy: -527.925
where: short stacking energy: -239.535
Base-Backbone interact. energy: 2.354
local terms energy: -264.558976
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -53.848
flat angles P-C4'-P energy: -33.474
tors. eta vs tors. theta energy: -57.660
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: 38
Temperature: 1.200000
Total energy: -738.298351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.298351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.298351 (E_RNA)
where:
Base-Base interactions energy: -497.552
where: short stacking energy: -214.875
Base-Backbone interact. energy: 0.995
local terms energy: -241.741420
where:
bonds (distance) C4'-P energy: -57.679
bonds (distance) P-C4' energy: -53.447
flat angles C4'-P-C4' energy: -54.435
flat angles P-C4'-P energy: -29.209
tors. eta vs tors. theta energy: -46.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -566.242654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.242654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.242654 (E_RNA)
where:
Base-Base interactions energy: -369.132
where: short stacking energy: -163.560
Base-Backbone interact. energy: -2.409
local terms energy: -194.701899
where:
bonds (distance) C4'-P energy: -51.769
bonds (distance) P-C4' energy: -48.966
flat angles C4'-P-C4' energy: -44.398
flat angles P-C4'-P energy: -25.113
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: 9, replica: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -458.751927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.751927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.751927 (E_RNA)
where:
Base-Base interactions energy: -282.320
where: short stacking energy: -132.550
Base-Backbone interact. energy: -0.169
local terms energy: -176.262223
where:
bonds (distance) C4'-P energy: -56.038
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -315.203411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.203411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.203411 (E_RNA)
where:
Base-Base interactions energy: -125.272
where: short stacking energy: -81.933
Base-Backbone interact. energy: -1.385
local terms energy: -188.545614
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -51.198
flat angles P-C4'-P energy: -33.182
tors. eta vs tors. theta energy: 2.245
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: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1027.664269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.664269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.664269 (E_RNA)
where:
Base-Base interactions energy: -705.139
where: short stacking energy: -290.217
Base-Backbone interact. energy: -0.771
local terms energy: -321.754184
where:
bonds (distance) C4'-P energy: -65.403
bonds (distance) P-C4' energy: -62.179
flat angles C4'-P-C4' energy: -62.963
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -84.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -948.161684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.161684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.161684 (E_RNA)
where:
Base-Base interactions energy: -654.886
where: short stacking energy: -265.642
Base-Backbone interact. energy: -2.228
local terms energy: -291.047797
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -34.379
tors. eta vs tors. theta energy: -75.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -928.131896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.131896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.131896 (E_RNA)
where:
Base-Base interactions energy: -646.147
where: short stacking energy: -262.129
Base-Backbone interact. energy: -2.357
local terms energy: -279.628135
where:
bonds (distance) C4'-P energy: -61.199
bonds (distance) P-C4' energy: -63.699
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -41.696
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -857.793778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.793778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.793778 (E_RNA)
where:
Base-Base interactions energy: -570.231
where: short stacking energy: -273.021
Base-Backbone interact. energy: -1.581
local terms energy: -285.981561
where:
bonds (distance) C4'-P energy: -60.134
bonds (distance) P-C4' energy: -55.317
flat angles C4'-P-C4' energy: -57.343
flat angles P-C4'-P energy: -40.468
tors. eta vs tors. theta energy: -72.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -807.391732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.391732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.391732 (E_RNA)
where:
Base-Base interactions energy: -527.668
where: short stacking energy: -232.713
Base-Backbone interact. energy: 0.486
local terms energy: -280.209018
where:
bonds (distance) C4'-P energy: -53.778
bonds (distance) P-C4' energy: -54.385
flat angles C4'-P-C4' energy: -61.635
flat angles P-C4'-P energy: -53.188
tors. eta vs tors. theta energy: -57.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -827.727398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.727398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.727398 (E_RNA)
where:
Base-Base interactions energy: -563.774
where: short stacking energy: -255.800
Base-Backbone interact. energy: -2.730
local terms energy: -261.223400
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -63.732
flat angles P-C4'-P energy: -36.387
tors. eta vs tors. theta energy: -64.575
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: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -747.633730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.633730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.633730 (E_RNA)
where:
Base-Base interactions energy: -487.105
where: short stacking energy: -225.056
Base-Backbone interact. energy: -0.811
local terms energy: -259.717573
where:
bonds (distance) C4'-P energy: -53.990
bonds (distance) P-C4' energy: -51.736
flat angles C4'-P-C4' energy: -58.393
flat angles P-C4'-P energy: -39.231
tors. eta vs tors. theta energy: -56.367
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: 4
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -467.895989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.895989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.895989 (E_RNA)
where:
Base-Base interactions energy: -270.816
where: short stacking energy: -133.330
Base-Backbone interact. energy: 5.253
local terms energy: -202.332533
where:
bonds (distance) C4'-P energy: -55.493
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -41.484
flat angles P-C4'-P energy: -30.438
tors. eta vs tors. theta energy: -19.049
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: 9, replica: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -528.028379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.028379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.028379 (E_RNA)
where:
Base-Base interactions energy: -318.679
where: short stacking energy: -138.843
Base-Backbone interact. energy: -1.709
local terms energy: -207.640532
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -59.587
flat angles C4'-P-C4' energy: -43.817
flat angles P-C4'-P energy: -29.211
tors. eta vs tors. theta energy: -28.648
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -356.569720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.569720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.569720 (E_RNA)
where:
Base-Base interactions energy: -180.356
where: short stacking energy: -127.234
Base-Backbone interact. energy: 0.062
local terms energy: -176.275093
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -41.747
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -10.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1032.040403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.040403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.040403 (E_RNA)
where:
Base-Base interactions energy: -713.727
where: short stacking energy: -312.205
Base-Backbone interact. energy: -0.594
local terms energy: -317.719797
where:
bonds (distance) C4'-P energy: -63.368
bonds (distance) P-C4' energy: -54.599
flat angles C4'-P-C4' energy: -65.313
flat angles P-C4'-P energy: -53.335
tors. eta vs tors. theta energy: -81.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -968.754446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.754446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.754446 (E_RNA)
where:
Base-Base interactions energy: -660.180
where: short stacking energy: -291.385
Base-Backbone interact. energy: -3.166
local terms energy: -305.408407
where:
bonds (distance) C4'-P energy: -60.562
bonds (distance) P-C4' energy: -62.093
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -36.177
tors. eta vs tors. theta energy: -81.324
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -961.390604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.390604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.390604 (E_RNA)
where:
Base-Base interactions energy: -673.257
where: short stacking energy: -264.806
Base-Backbone interact. energy: -2.926
local terms energy: -285.206812
where:
bonds (distance) C4'-P energy: -50.894
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -61.867
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -60.258
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: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -865.345388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.345388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.345388 (E_RNA)
where:
Base-Base interactions energy: -576.377
where: short stacking energy: -271.896
Base-Backbone interact. energy: -1.135
local terms energy: -287.833855
where:
bonds (distance) C4'-P energy: -58.448
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -68.707
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -59.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -847.765617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.765617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.765617 (E_RNA)
where:
Base-Base interactions energy: -569.560
where: short stacking energy: -251.266
Base-Backbone interact. energy: -0.378
local terms energy: -277.827771
where:
bonds (distance) C4'-P energy: -40.437
bonds (distance) P-C4' energy: -61.690
flat angles C4'-P-C4' energy: -61.724
flat angles P-C4'-P energy: -43.400
tors. eta vs tors. theta energy: -70.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -775.138789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.138789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.138789 (E_RNA)
where:
Base-Base interactions energy: -509.181
where: short stacking energy: -220.667
Base-Backbone interact. energy: -1.063
local terms energy: -264.894891
where:
bonds (distance) C4'-P energy: -50.756
bonds (distance) P-C4' energy: -63.810
flat angles C4'-P-C4' energy: -54.799
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -55.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -731.451711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.451711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.451711 (E_RNA)
where:
Base-Base interactions energy: -475.827
where: short stacking energy: -226.501
Base-Backbone interact. energy: 0.074
local terms energy: -255.698950
where:
bonds (distance) C4'-P energy: -51.616
bonds (distance) P-C4' energy: -56.958
flat angles C4'-P-C4' energy: -62.401
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -52.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -483.498660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.498660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.498660 (E_RNA)
where:
Base-Base interactions energy: -262.606
where: short stacking energy: -134.147
Base-Backbone interact. energy: -0.562
local terms energy: -220.331216
where:
bonds (distance) C4'-P energy: -51.538
bonds (distance) P-C4' energy: -59.287
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -40.130
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -535.485480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.485480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.485480 (E_RNA)
where:
Base-Base interactions energy: -338.096
where: short stacking energy: -149.032
Base-Backbone interact. energy: -0.936
local terms energy: -196.453943
where:
bonds (distance) C4'-P energy: -59.754
bonds (distance) P-C4' energy: -50.013
flat angles C4'-P-C4' energy: -39.009
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -18.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -360.718487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.718487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.718487 (E_RNA)
where:
Base-Base interactions energy: -197.390
where: short stacking energy: -111.749
Base-Backbone interact. energy: -0.055
local terms energy: -163.273360
where:
bonds (distance) C4'-P energy: -55.391
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1044.543868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.543868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.543868 (E_RNA)
where:
Base-Base interactions energy: -726.383
where: short stacking energy: -314.644
Base-Backbone interact. energy: -0.087
local terms energy: -318.073428
where:
bonds (distance) C4'-P energy: -53.488
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -67.007
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -87.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -962.720572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.720572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.720572 (E_RNA)
where:
Base-Base interactions energy: -667.027
where: short stacking energy: -279.488
Base-Backbone interact. energy: 0.012
local terms energy: -295.705431
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -56.872
flat angles C4'-P-C4' energy: -68.630
flat angles P-C4'-P energy: -35.096
tors. eta vs tors. theta energy: -79.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -943.539208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.539208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.539208 (E_RNA)
where:
Base-Base interactions energy: -657.817
where: short stacking energy: -261.119
Base-Backbone interact. energy: -2.942
local terms energy: -282.780912
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -58.251
flat angles C4'-P-C4' energy: -62.566
flat angles P-C4'-P energy: -35.190
tors. eta vs tors. theta energy: -64.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -892.976604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.976604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.976604 (E_RNA)
where:
Base-Base interactions energy: -594.171
where: short stacking energy: -256.781
Base-Backbone interact. energy: -1.620
local terms energy: -297.185790
where:
bonds (distance) C4'-P energy: -54.077
bonds (distance) P-C4' energy: -66.329
flat angles C4'-P-C4' energy: -64.493
flat angles P-C4'-P energy: -43.126
tors. eta vs tors. theta energy: -69.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -857.417497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.417497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.417497 (E_RNA)
where:
Base-Base interactions energy: -583.433
where: short stacking energy: -247.352
Base-Backbone interact. energy: -1.044
local terms energy: -272.941352
where:
bonds (distance) C4'-P energy: -53.145
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -41.468
tors. eta vs tors. theta energy: -60.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -781.369982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.369982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.369982 (E_RNA)
where:
Base-Base interactions energy: -547.142
where: short stacking energy: -227.747
Base-Backbone interact. energy: -1.298
local terms energy: -232.930298
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -53.807
flat angles P-C4'-P energy: -39.068
tors. eta vs tors. theta energy: -51.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -724.134597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.134597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.134597 (E_RNA)
where:
Base-Base interactions energy: -470.294
where: short stacking energy: -217.168
Base-Backbone interact. energy: -0.242
local terms energy: -253.599523
where:
bonds (distance) C4'-P energy: -56.536
bonds (distance) P-C4' energy: -61.593
flat angles C4'-P-C4' energy: -59.846
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -52.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -580.635860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.635860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.635860 (E_RNA)
where:
Base-Base interactions energy: -352.622
where: short stacking energy: -160.974
Base-Backbone interact. energy: 0.009
local terms energy: -228.022629
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -35.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -529.686639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.686639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.686639 (E_RNA)
where:
Base-Base interactions energy: -306.803
where: short stacking energy: -152.299
Base-Backbone interact. energy: -0.603
local terms energy: -222.280588
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -52.463
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -26.790
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: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -372.118080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.118080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.118080 (E_RNA)
where:
Base-Base interactions energy: -212.021
where: short stacking energy: -111.482
Base-Backbone interact. energy: -0.907
local terms energy: -159.190597
where:
bonds (distance) C4'-P energy: -43.551
bonds (distance) P-C4' energy: -49.157
flat angles C4'-P-C4' energy: -39.370
flat angles P-C4'-P energy: -27.745
tors. eta vs tors. theta energy: 0.632
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: 42
Temperature: 0.900000
Total energy: -1044.213738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.213738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.213738 (E_RNA)
where:
Base-Base interactions energy: -718.698
where: short stacking energy: -305.291
Base-Backbone interact. energy: -1.506
local terms energy: -324.010551
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -61.337
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -46.341
tors. eta vs tors. theta energy: -84.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -970.447711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.447711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.447711 (E_RNA)
where:
Base-Base interactions energy: -677.540
where: short stacking energy: -276.537
Base-Backbone interact. energy: -4.141
local terms energy: -288.767233
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -63.578
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -36.709
tors. eta vs tors. theta energy: -74.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -959.716329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.716329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.716329 (E_RNA)
where:
Base-Base interactions energy: -649.545
where: short stacking energy: -292.482
Base-Backbone interact. energy: -1.310
local terms energy: -308.860837
where:
bonds (distance) C4'-P energy: -63.031
bonds (distance) P-C4' energy: -62.152
flat angles C4'-P-C4' energy: -62.491
flat angles P-C4'-P energy: -35.716
tors. eta vs tors. theta energy: -85.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -919.800899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.800899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.800899 (E_RNA)
where:
Base-Base interactions energy: -641.261
where: short stacking energy: -264.868
Base-Backbone interact. energy: -2.617
local terms energy: -275.922368
where:
bonds (distance) C4'-P energy: -53.557
bonds (distance) P-C4' energy: -66.344
flat angles C4'-P-C4' energy: -58.059
flat angles P-C4'-P energy: -34.621
tors. eta vs tors. theta energy: -63.341
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: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -809.942131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.942131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.942131 (E_RNA)
where:
Base-Base interactions energy: -533.775
where: short stacking energy: -226.588
Base-Backbone interact. energy: -2.762
local terms energy: -273.405639
where:
bonds (distance) C4'-P energy: -48.484
bonds (distance) P-C4' energy: -56.576
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -49.458
tors. eta vs tors. theta energy: -58.990
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: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -807.217886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.217886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.217886 (E_RNA)
where:
Base-Base interactions energy: -542.947
where: short stacking energy: -243.259
Base-Backbone interact. energy: -1.696
local terms energy: -262.574807
where:
bonds (distance) C4'-P energy: -48.066
bonds (distance) P-C4' energy: -57.094
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -52.466
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -740.635429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.635429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.635429 (E_RNA)
where:
Base-Base interactions energy: -500.740
where: short stacking energy: -237.997
Base-Backbone interact. energy: 0.734
local terms energy: -240.629585
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -54.643
flat angles C4'-P-C4' energy: -55.565
flat angles P-C4'-P energy: -35.663
tors. eta vs tors. theta energy: -54.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -631.771584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.771584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.771584 (E_RNA)
where:
Base-Base interactions energy: -431.707
where: short stacking energy: -189.631
Base-Backbone interact. energy: -1.083
local terms energy: -198.981507
where:
bonds (distance) C4'-P energy: -32.625
bonds (distance) P-C4' energy: -49.760
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -27.744
tors. eta vs tors. theta energy: -33.545
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: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -509.961959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.961959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.961959 (E_RNA)
where:
Base-Base interactions energy: -313.419
where: short stacking energy: -134.819
Base-Backbone interact. energy: 5.949
local terms energy: -202.491847
where:
bonds (distance) C4'-P energy: -50.235
bonds (distance) P-C4' energy: -55.594
flat angles C4'-P-C4' energy: -48.146
flat angles P-C4'-P energy: -33.009
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -353.014152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.014152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.014152 (E_RNA)
where:
Base-Base interactions energy: -172.491
where: short stacking energy: -119.138
Base-Backbone interact. energy: 1.699
local terms energy: -182.222114
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -41.078
flat angles P-C4'-P energy: -29.926
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1035.333448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.333448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.333448 (E_RNA)
where:
Base-Base interactions energy: -717.267
where: short stacking energy: -298.535
Base-Backbone interact. energy: -1.276
local terms energy: -316.790680
where:
bonds (distance) C4'-P energy: -53.763
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -70.962
flat angles P-C4'-P energy: -45.558
tors. eta vs tors. theta energy: -83.775
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: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -999.030182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.030182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.030182 (E_RNA)
where:
Base-Base interactions energy: -704.807
where: short stacking energy: -314.674
Base-Backbone interact. energy: -2.089
local terms energy: -292.134623
where:
bonds (distance) C4'-P energy: -56.106
bonds (distance) P-C4' energy: -56.978
flat angles C4'-P-C4' energy: -69.606
flat angles P-C4'-P energy: -29.599
tors. eta vs tors. theta energy: -79.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -947.612112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.612112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.612112 (E_RNA)
where:
Base-Base interactions energy: -668.883
where: short stacking energy: -263.850
Base-Backbone interact. energy: -0.271
local terms energy: -278.458145
where:
bonds (distance) C4'-P energy: -55.545
bonds (distance) P-C4' energy: -53.990
flat angles C4'-P-C4' energy: -64.286
flat angles P-C4'-P energy: -40.509
tors. eta vs tors. theta energy: -64.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -921.511236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.511236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.511236 (E_RNA)
where:
Base-Base interactions energy: -636.940
where: short stacking energy: -256.728
Base-Backbone interact. energy: -1.872
local terms energy: -282.698930
where:
bonds (distance) C4'-P energy: -49.022
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -69.614
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -60.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -803.647988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.647988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.647988 (E_RNA)
where:
Base-Base interactions energy: -516.154
where: short stacking energy: -243.884
Base-Backbone interact. energy: -2.621
local terms energy: -284.872700
where:
bonds (distance) C4'-P energy: -57.705
bonds (distance) P-C4' energy: -55.257
flat angles C4'-P-C4' energy: -61.873
flat angles P-C4'-P energy: -48.127
tors. eta vs tors. theta energy: -61.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -778.267431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.267431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.267431 (E_RNA)
where:
Base-Base interactions energy: -518.948
where: short stacking energy: -248.290
Base-Backbone interact. energy: -1.016
local terms energy: -258.303689
where:
bonds (distance) C4'-P energy: -48.771
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -29.902
tors. eta vs tors. theta energy: -66.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -709.813713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.813713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.813713 (E_RNA)
where:
Base-Base interactions energy: -472.928
where: short stacking energy: -209.315
Base-Backbone interact. energy: 0.616
local terms energy: -237.501022
where:
bonds (distance) C4'-P energy: -56.695
bonds (distance) P-C4' energy: -46.891
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -28.927
tors. eta vs tors. theta energy: -47.503
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: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -594.009419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.009419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.009419 (E_RNA)
where:
Base-Base interactions energy: -378.984
where: short stacking energy: -187.549
Base-Backbone interact. energy: -1.341
local terms energy: -213.684518
where:
bonds (distance) C4'-P energy: -56.054
bonds (distance) P-C4' energy: -41.675
flat angles C4'-P-C4' energy: -41.992
flat angles P-C4'-P energy: -38.745
tors. eta vs tors. theta energy: -35.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -546.791831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.791831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.791831 (E_RNA)
where:
Base-Base interactions energy: -353.538
where: short stacking energy: -163.924
Base-Backbone interact. energy: 1.388
local terms energy: -194.641900
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -39.998
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -34.942
tors. eta vs tors. theta energy: -30.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -415.349025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.349025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.349025 (E_RNA)
where:
Base-Base interactions energy: -208.044
where: short stacking energy: -118.053
Base-Backbone interact. energy: -0.501
local terms energy: -206.803653
where:
bonds (distance) C4'-P energy: -50.502
bonds (distance) P-C4' energy: -58.760
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -30.115
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1032.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.636731 (E_RNA)
where:
Base-Base interactions energy: -720.264
where: short stacking energy: -306.913
Base-Backbone interact. energy: -0.442
local terms energy: -311.929985
where:
bonds (distance) C4'-P energy: -48.440
bonds (distance) P-C4' energy: -69.396
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -85.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1000.915044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.915044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.915044 (E_RNA)
where:
Base-Base interactions energy: -690.914
where: short stacking energy: -305.153
Base-Backbone interact. energy: -0.562
local terms energy: -309.438846
where:
bonds (distance) C4'-P energy: -53.311
bonds (distance) P-C4' energy: -67.705
flat angles C4'-P-C4' energy: -61.378
flat angles P-C4'-P energy: -41.384
tors. eta vs tors. theta energy: -85.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -968.707399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.707399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.707399 (E_RNA)
where:
Base-Base interactions energy: -679.604
where: short stacking energy: -266.914
Base-Backbone interact. energy: -2.988
local terms energy: -286.115435
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -73.838
flat angles C4'-P-C4' energy: -62.682
flat angles P-C4'-P energy: -44.374
tors. eta vs tors. theta energy: -58.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -906.988591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.988591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.988591 (E_RNA)
where:
Base-Base interactions energy: -611.795
where: short stacking energy: -261.700
Base-Backbone interact. energy: -3.645
local terms energy: -291.548448
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -61.396
flat angles C4'-P-C4' energy: -63.581
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -68.471
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: 2
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -793.400053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.400053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.400053 (E_RNA)
where:
Base-Base interactions energy: -503.296
where: short stacking energy: -220.812
Base-Backbone interact. energy: -1.788
local terms energy: -288.316040
where:
bonds (distance) C4'-P energy: -62.975
bonds (distance) P-C4' energy: -64.104
flat angles C4'-P-C4' energy: -61.807
flat angles P-C4'-P energy: -43.680
tors. eta vs tors. theta energy: -55.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -771.275551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.275551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.275551 (E_RNA)
where:
Base-Base interactions energy: -502.167
where: short stacking energy: -243.125
Base-Backbone interact. energy: -0.598
local terms energy: -268.511004
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -58.794
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: -61.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -723.241244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.241244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.241244 (E_RNA)
where:
Base-Base interactions energy: -483.965
where: short stacking energy: -215.745
Base-Backbone interact. energy: -0.681
local terms energy: -238.595860
where:
bonds (distance) C4'-P energy: -48.502
bonds (distance) P-C4' energy: -58.117
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -29.024
tors. eta vs tors. theta energy: -44.126
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: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -531.081016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.081016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.081016 (E_RNA)
where:
Base-Base interactions energy: -318.842
where: short stacking energy: -144.870
Base-Backbone interact. energy: -0.793
local terms energy: -211.445547
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -59.702
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -26.626
tors. eta vs tors. theta energy: -16.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -526.930586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.930586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.930586 (E_RNA)
where:
Base-Base interactions energy: -313.526
where: short stacking energy: -141.094
Base-Backbone interact. energy: -1.767
local terms energy: -211.637572
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -57.416
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -475.728626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.728626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.728626 (E_RNA)
where:
Base-Base interactions energy: -294.634
where: short stacking energy: -141.544
Base-Backbone interact. energy: -0.394
local terms energy: -180.700526
where:
bonds (distance) C4'-P energy: -38.828
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -49.857
flat angles P-C4'-P energy: -20.004
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1045.784639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.784639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.784639 (E_RNA)
where:
Base-Base interactions energy: -734.726
where: short stacking energy: -323.165
Base-Backbone interact. energy: 2.213
local terms energy: -313.271726
where:
bonds (distance) C4'-P energy: -67.516
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -59.938
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -83.674
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: 45
Temperature: 0.950000
Total energy: -982.325737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.325737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.325737 (E_RNA)
where:
Base-Base interactions energy: -705.248
where: short stacking energy: -294.697
Base-Backbone interact. energy: -0.279
local terms energy: -276.798207
where:
bonds (distance) C4'-P energy: -56.762
bonds (distance) P-C4' energy: -65.120
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -16.975
tors. eta vs tors. theta energy: -69.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -958.217732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.217732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.217732 (E_RNA)
where:
Base-Base interactions energy: -649.948
where: short stacking energy: -281.287
Base-Backbone interact. energy: -1.719
local terms energy: -306.550732
where:
bonds (distance) C4'-P energy: -54.140
bonds (distance) P-C4' energy: -65.539
flat angles C4'-P-C4' energy: -71.188
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -73.693
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: 45
Temperature: 1.050000
Total energy: -888.245773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.245773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.245773 (E_RNA)
where:
Base-Base interactions energy: -605.677
where: short stacking energy: -250.254
Base-Backbone interact. energy: -1.506
local terms energy: -281.062701
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -54.224
flat angles P-C4'-P energy: -51.424
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -776.305932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.305932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.305932 (E_RNA)
where:
Base-Base interactions energy: -517.822
where: short stacking energy: -246.244
Base-Backbone interact. energy: -0.349
local terms energy: -258.134928
where:
bonds (distance) C4'-P energy: -48.813
bonds (distance) P-C4' energy: -57.355
flat angles C4'-P-C4' energy: -58.257
flat angles P-C4'-P energy: -36.683
tors. eta vs tors. theta energy: -57.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -759.638257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.638257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.638257 (E_RNA)
where:
Base-Base interactions energy: -520.004
where: short stacking energy: -239.995
Base-Backbone interact. energy: -1.426
local terms energy: -238.207751
where:
bonds (distance) C4'-P energy: -50.044
bonds (distance) P-C4' energy: -51.267
flat angles C4'-P-C4' energy: -51.784
flat angles P-C4'-P energy: -35.393
tors. eta vs tors. theta energy: -49.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -718.322521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.322521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.322521 (E_RNA)
where:
Base-Base interactions energy: -467.386
where: short stacking energy: -212.460
Base-Backbone interact. energy: 0.603
local terms energy: -251.539757
where:
bonds (distance) C4'-P energy: -39.874
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -57.316
flat angles P-C4'-P energy: -41.957
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: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -559.696416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.696416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.696416 (E_RNA)
where:
Base-Base interactions energy: -343.245
where: short stacking energy: -152.108
Base-Backbone interact. energy: -1.670
local terms energy: -214.781795
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -39.943
flat angles C4'-P-C4' energy: -57.851
flat angles P-C4'-P energy: -46.016
tors. eta vs tors. theta energy: -24.752
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: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -498.898756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.898756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.898756 (E_RNA)
where:
Base-Base interactions energy: -293.111
where: short stacking energy: -140.162
Base-Backbone interact. energy: -1.013
local terms energy: -204.774731
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -48.559
flat angles P-C4'-P energy: -33.453
tors. eta vs tors. theta energy: -23.690
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: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -509.024952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.024952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.024952 (E_RNA)
where:
Base-Base interactions energy: -309.108
where: short stacking energy: -167.817
Base-Backbone interact. energy: -1.085
local terms energy: -198.831724
where:
bonds (distance) C4'-P energy: -42.680
bonds (distance) P-C4' energy: -51.955
flat angles C4'-P-C4' energy: -51.800
flat angles P-C4'-P energy: -30.128
tors. eta vs tors. theta energy: -22.270
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: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1051.849704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.849704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.849704 (E_RNA)
where:
Base-Base interactions energy: -725.306
where: short stacking energy: -315.185
Base-Backbone interact. energy: 0.981
local terms energy: -327.525036
where:
bonds (distance) C4'-P energy: -61.099
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -70.993
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -86.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -987.069938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.069938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.069938 (E_RNA)
where:
Base-Base interactions energy: -699.498
where: short stacking energy: -290.314
Base-Backbone interact. energy: -0.805
local terms energy: -286.766822
where:
bonds (distance) C4'-P energy: -54.978
bonds (distance) P-C4' energy: -66.311
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -36.819
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -944.601244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.601244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.601244 (E_RNA)
where:
Base-Base interactions energy: -650.028
where: short stacking energy: -278.190
Base-Backbone interact. energy: -1.680
local terms energy: -292.893627
where:
bonds (distance) C4'-P energy: -54.785
bonds (distance) P-C4' energy: -61.699
flat angles C4'-P-C4' energy: -63.079
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -77.576
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: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -911.347219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.347219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.347219 (E_RNA)
where:
Base-Base interactions energy: -652.871
where: short stacking energy: -274.169
Base-Backbone interact. energy: -0.168
local terms energy: -258.307846
where:
bonds (distance) C4'-P energy: -55.864
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -35.593
tors. eta vs tors. theta energy: -60.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -816.146793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.146793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.146793 (E_RNA)
where:
Base-Base interactions energy: -545.321
where: short stacking energy: -229.252
Base-Backbone interact. energy: -1.284
local terms energy: -269.541387
where:
bonds (distance) C4'-P energy: -51.164
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -43.655
tors. eta vs tors. theta energy: -55.835
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: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -774.791000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.791000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.791000 (E_RNA)
where:
Base-Base interactions energy: -501.785
where: short stacking energy: -223.193
Base-Backbone interact. energy: -2.857
local terms energy: -270.148859
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -61.685
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -62.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -759.559699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.559699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.559699 (E_RNA)
where:
Base-Base interactions energy: -525.315
where: short stacking energy: -225.166
Base-Backbone interact. energy: 0.876
local terms energy: -235.120730
where:
bonds (distance) C4'-P energy: -48.195
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -52.694
flat angles P-C4'-P energy: -31.825
tors. eta vs tors. theta energy: -49.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -537.175820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.175820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.175820 (E_RNA)
where:
Base-Base interactions energy: -319.782
where: short stacking energy: -157.698
Base-Backbone interact. energy: 0.427
local terms energy: -217.820181
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -52.079
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -27.449
tors. eta vs tors. theta energy: -36.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -534.161516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.161516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.161516 (E_RNA)
where:
Base-Base interactions energy: -319.226
where: short stacking energy: -150.831
Base-Backbone interact. energy: -0.442
local terms energy: -214.494194
where:
bonds (distance) C4'-P energy: -45.353
bonds (distance) P-C4' energy: -58.347
flat angles C4'-P-C4' energy: -52.302
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -425.992749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.992749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.992749 (E_RNA)
where:
Base-Base interactions energy: -262.591
where: short stacking energy: -138.037
Base-Backbone interact. energy: 0.032
local terms energy: -163.433500
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -35.776
flat angles C4'-P-C4' energy: -42.421
flat angles P-C4'-P energy: -20.174
tors. eta vs tors. theta energy: -11.678
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1060.860253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.860253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.860253 (E_RNA)
where:
Base-Base interactions energy: -734.300
where: short stacking energy: -312.606
Base-Backbone interact. energy: -0.561
local terms energy: -325.999588
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -62.910
flat angles C4'-P-C4' energy: -64.952
flat angles P-C4'-P energy: -54.879
tors. eta vs tors. theta energy: -84.461
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: 47
Temperature: 0.950000
Total energy: -1007.587405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.587405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.587405 (E_RNA)
where:
Base-Base interactions energy: -697.929
where: short stacking energy: -304.498
Base-Backbone interact. energy: -1.890
local terms energy: -307.768609
where:
bonds (distance) C4'-P energy: -62.502
bonds (distance) P-C4' energy: -65.628
flat angles C4'-P-C4' energy: -61.753
flat angles P-C4'-P energy: -42.203
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: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -964.369831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.369831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.369831 (E_RNA)
where:
Base-Base interactions energy: -668.231
where: short stacking energy: -295.469
Base-Backbone interact. energy: -0.102
local terms energy: -296.036130
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -72.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -947.229392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.229392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.229392 (E_RNA)
where:
Base-Base interactions energy: -666.198
where: short stacking energy: -280.274
Base-Backbone interact. energy: -1.446
local terms energy: -279.585651
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -55.996
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -68.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -829.452770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.452770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.452770 (E_RNA)
where:
Base-Base interactions energy: -580.986
where: short stacking energy: -242.819
Base-Backbone interact. energy: 0.009
local terms energy: -248.476132
where:
bonds (distance) C4'-P energy: -47.635
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -56.863
flat angles P-C4'-P energy: -34.000
tors. eta vs tors. theta energy: -57.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -814.176506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.176506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.176506 (E_RNA)
where:
Base-Base interactions energy: -564.335
where: short stacking energy: -245.262
Base-Backbone interact. energy: -0.565
local terms energy: -249.276575
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -44.213
flat angles C4'-P-C4' energy: -63.332
flat angles P-C4'-P energy: -32.324
tors. eta vs tors. theta energy: -55.593
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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -762.464931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.464931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.464931 (E_RNA)
where:
Base-Base interactions energy: -494.813
where: short stacking energy: -225.964
Base-Backbone interact. energy: -3.576
local terms energy: -264.076797
where:
bonds (distance) C4'-P energy: -43.146
bonds (distance) P-C4' energy: -55.229
flat angles C4'-P-C4' energy: -56.180
flat angles P-C4'-P energy: -48.663
tors. eta vs tors. theta energy: -60.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -562.015548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.015548 (E_RNA)
where:
Base-Base interactions energy: -342.764
where: short stacking energy: -159.523
Base-Backbone interact. energy: 3.043
local terms energy: -222.294334
where:
bonds (distance) C4'-P energy: -49.802
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -51.652
flat angles P-C4'-P energy: -36.996
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -520.744146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.744146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.744146 (E_RNA)
where:
Base-Base interactions energy: -309.306
where: short stacking energy: -153.120
Base-Backbone interact. energy: -2.125
local terms energy: -209.313078
where:
bonds (distance) C4'-P energy: -47.464
bonds (distance) P-C4' energy: -58.337
flat angles C4'-P-C4' energy: -38.799
flat angles P-C4'-P energy: -35.633
tors. eta vs tors. theta energy: -29.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -412.962394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.962394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.962394 (E_RNA)
where:
Base-Base interactions energy: -247.698
where: short stacking energy: -124.740
Base-Backbone interact. energy: -1.090
local terms energy: -164.174011
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -38.190
flat angles P-C4'-P energy: -25.271
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1022.701954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.701954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.701954 (E_RNA)
where:
Base-Base interactions energy: -722.169
where: short stacking energy: -303.175
Base-Backbone interact. energy: -1.064
local terms energy: -299.469699
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -56.530
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -78.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1055.330193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.330193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.330193 (E_RNA)
where:
Base-Base interactions energy: -733.276
where: short stacking energy: -313.421
Base-Backbone interact. energy: -1.292
local terms energy: -320.762407
where:
bonds (distance) C4'-P energy: -60.751
bonds (distance) P-C4' energy: -60.254
flat angles C4'-P-C4' energy: -66.802
flat angles P-C4'-P energy: -44.346
tors. eta vs tors. theta energy: -88.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -976.524877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.524877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.524877 (E_RNA)
where:
Base-Base interactions energy: -686.211
where: short stacking energy: -289.878
Base-Backbone interact. energy: 0.469
local terms energy: -290.782789
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -67.253
flat angles P-C4'-P energy: -38.610
tors. eta vs tors. theta energy: -73.492
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: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -920.912541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.912541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.912541 (E_RNA)
where:
Base-Base interactions energy: -633.399
where: short stacking energy: -277.382
Base-Backbone interact. energy: -2.616
local terms energy: -284.898213
where:
bonds (distance) C4'-P energy: -56.005
bonds (distance) P-C4' energy: -63.741
flat angles C4'-P-C4' energy: -56.950
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: -71.761
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: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -860.916019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.916019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.916019 (E_RNA)
where:
Base-Base interactions energy: -597.411
where: short stacking energy: -227.194
Base-Backbone interact. energy: 1.227
local terms energy: -264.731746
where:
bonds (distance) C4'-P energy: -56.426
bonds (distance) P-C4' energy: -49.733
flat angles C4'-P-C4' energy: -53.719
flat angles P-C4'-P energy: -48.138
tors. eta vs tors. theta energy: -56.715
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: 48
Temperature: 1.150000
Total energy: -831.417984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.417984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.417984 (E_RNA)
where:
Base-Base interactions energy: -548.219
where: short stacking energy: -243.622
Base-Backbone interact. energy: -2.321
local terms energy: -280.877948
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -55.575
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: -66.969
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: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -752.076020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.076020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.076020 (E_RNA)
where:
Base-Base interactions energy: -521.327
where: short stacking energy: -244.976
Base-Backbone interact. energy: -1.085
local terms energy: -229.664289
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -59.639
flat angles C4'-P-C4' energy: -55.539
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -50.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -558.076534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.076534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.076534 (E_RNA)
where:
Base-Base interactions energy: -346.357
where: short stacking energy: -154.204
Base-Backbone interact. energy: 1.700
local terms energy: -213.419335
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -39.934
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -27.754
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: 9
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -490.293266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.293266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.293266 (E_RNA)
where:
Base-Base interactions energy: -282.916
where: short stacking energy: -143.210
Base-Backbone interact. energy: -0.541
local terms energy: -206.835604
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -55.999
flat angles C4'-P-C4' energy: -50.658
flat angles P-C4'-P energy: -25.984
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -456.779751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.779751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.779751 (E_RNA)
where:
Base-Base interactions energy: -267.838
where: short stacking energy: -143.366
Base-Backbone interact. energy: 3.144
local terms energy: -192.085838
where:
bonds (distance) C4'-P energy: -44.422
bonds (distance) P-C4' energy: -56.025
flat angles C4'-P-C4' energy: -51.353
flat angles P-C4'-P energy: -24.888
tors. eta vs tors. theta energy: -15.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1039.089172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.089172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.089172 (E_RNA)
where:
Base-Base interactions energy: -723.379
where: short stacking energy: -302.996
Base-Backbone interact. energy: -1.960
local terms energy: -313.751018
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -57.768
flat angles C4'-P-C4' energy: -71.792
flat angles P-C4'-P energy: -50.069
tors. eta vs tors. theta energy: -71.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1042.275758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.275758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.275758 (E_RNA)
where:
Base-Base interactions energy: -721.101
where: short stacking energy: -312.512
Base-Backbone interact. energy: -0.099
local terms energy: -321.075091
where:
bonds (distance) C4'-P energy: -63.608
bonds (distance) P-C4' energy: -59.226
flat angles C4'-P-C4' energy: -68.739
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -86.136
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: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -963.459589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.459589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.459589 (E_RNA)
where:
Base-Base interactions energy: -660.449
where: short stacking energy: -268.423
Base-Backbone interact. energy: 0.407
local terms energy: -303.418126
where:
bonds (distance) C4'-P energy: -65.173
bonds (distance) P-C4' energy: -65.693
flat angles C4'-P-C4' energy: -60.602
flat angles P-C4'-P energy: -42.941
tors. eta vs tors. theta energy: -69.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -941.672929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.672929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.672929 (E_RNA)
where:
Base-Base interactions energy: -679.848
where: short stacking energy: -278.796
Base-Backbone interact. energy: 4.409
local terms energy: -266.234622
where:
bonds (distance) C4'-P energy: -49.922
bonds (distance) P-C4' energy: -58.526
flat angles C4'-P-C4' energy: -57.277
flat angles P-C4'-P energy: -31.565
tors. eta vs tors. theta energy: -68.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -885.569482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.569482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.569482 (E_RNA)
where:
Base-Base interactions energy: -615.208
where: short stacking energy: -262.650
Base-Backbone interact. energy: -3.656
local terms energy: -266.704910
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -50.119
flat angles C4'-P-C4' energy: -59.874
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: -68.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -827.396424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.396424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.396424 (E_RNA)
where:
Base-Base interactions energy: -584.131
where: short stacking energy: -259.809
Base-Backbone interact. energy: 0.107
local terms energy: -243.372454
where:
bonds (distance) C4'-P energy: -37.588
bonds (distance) P-C4' energy: -57.845
flat angles C4'-P-C4' energy: -51.708
flat angles P-C4'-P energy: -37.191
tors. eta vs tors. theta energy: -59.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -749.118948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.118948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.118948 (E_RNA)
where:
Base-Base interactions energy: -485.874
where: short stacking energy: -217.241
Base-Backbone interact. energy: -0.308
local terms energy: -262.936012
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -39.979
tors. eta vs tors. theta energy: -67.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -546.611027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.611027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.611027 (E_RNA)
where:
Base-Base interactions energy: -330.293
where: short stacking energy: -164.530
Base-Backbone interact. energy: -1.208
local terms energy: -215.110613
where:
bonds (distance) C4'-P energy: -44.586
bonds (distance) P-C4' energy: -46.572
flat angles C4'-P-C4' energy: -61.120
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -30.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -535.483505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.483505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.483505 (E_RNA)
where:
Base-Base interactions energy: -328.426
where: short stacking energy: -170.767
Base-Backbone interact. energy: 4.671
local terms energy: -211.728598
where:
bonds (distance) C4'-P energy: -46.432
bonds (distance) P-C4' energy: -55.422
flat angles C4'-P-C4' energy: -48.160
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -21.504
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: 49
Temperature: 1.350000
Total energy: -380.809862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.809862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.809862 (E_RNA)
where:
Base-Base interactions energy: -190.849
where: short stacking energy: -100.303
Base-Backbone interact. energy: -0.033
local terms energy: -189.928116
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -62.045
flat angles C4'-P-C4' energy: -45.550
flat angles P-C4'-P energy: -18.931
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1070.112482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.112482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.112482 (E_RNA)
where:
Base-Base interactions energy: -754.124
where: short stacking energy: -321.740
Base-Backbone interact. energy: -1.322
local terms energy: -314.665832
where:
bonds (distance) C4'-P energy: -57.800
bonds (distance) P-C4' energy: -60.452
flat angles C4'-P-C4' energy: -65.313
flat angles P-C4'-P energy: -49.139
tors. eta vs tors. theta energy: -81.962
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: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1002.813589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.813589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.813589 (E_RNA)
where:
Base-Base interactions energy: -696.579
where: short stacking energy: -313.402
Base-Backbone interact. energy: -2.771
local terms energy: -303.462843
where:
bonds (distance) C4'-P energy: -51.788
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -65.276
flat angles P-C4'-P energy: -42.697
tors. eta vs tors. theta energy: -80.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -940.184858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.184858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.184858 (E_RNA)
where:
Base-Base interactions energy: -639.842
where: short stacking energy: -278.487
Base-Backbone interact. energy: -1.598
local terms energy: -298.744781
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -65.844
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -82.663
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: 5
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -930.386605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.386605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.386605 (E_RNA)
where:
Base-Base interactions energy: -650.738
where: short stacking energy: -269.151
Base-Backbone interact. energy: -0.695
local terms energy: -278.954091
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -53.540
flat angles C4'-P-C4' energy: -59.386
flat angles P-C4'-P energy: -41.342
tors. eta vs tors. theta energy: -72.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -872.587855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.587855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.587855 (E_RNA)
where:
Base-Base interactions energy: -592.853
where: short stacking energy: -262.683
Base-Backbone interact. energy: -1.385
local terms energy: -278.349769
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -52.030
flat angles C4'-P-C4' energy: -65.825
flat angles P-C4'-P energy: -40.033
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: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -855.547201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.547201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.547201 (E_RNA)
where:
Base-Base interactions energy: -581.736
where: short stacking energy: -269.899
Base-Backbone interact. energy: 0.565
local terms energy: -274.375899
where:
bonds (distance) C4'-P energy: -57.678
bonds (distance) P-C4' energy: -54.524
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -65.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -780.423951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.423951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.423951 (E_RNA)
where:
Base-Base interactions energy: -519.434
where: short stacking energy: -248.905
Base-Backbone interact. energy: 0.510
local terms energy: -261.500298
where:
bonds (distance) C4'-P energy: -54.984
bonds (distance) P-C4' energy: -55.988
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: -56.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -567.601016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.601016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.601016 (E_RNA)
where:
Base-Base interactions energy: -365.564
where: short stacking energy: -187.255
Base-Backbone interact. energy: -0.925
local terms energy: -201.112645
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -43.943
flat angles C4'-P-C4' energy: -48.406
flat angles P-C4'-P energy: -32.344
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: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -505.806509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.806509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.806509 (E_RNA)
where:
Base-Base interactions energy: -291.695
where: short stacking energy: -147.750
Base-Backbone interact. energy: 1.017
local terms energy: -215.127860
where:
bonds (distance) C4'-P energy: -53.237
bonds (distance) P-C4' energy: -45.016
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -39.306
tors. eta vs tors. theta energy: -14.725
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: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -340.739756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.739756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.739756 (E_RNA)
where:
Base-Base interactions energy: -171.684
where: short stacking energy: -92.390
Base-Backbone interact. energy: 7.206
local terms energy: -176.261303
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -48.893
flat angles C4'-P-C4' energy: -44.840
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: -3.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1061.907614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.907614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.907614 (E_RNA)
where:
Base-Base interactions energy: -738.256
where: short stacking energy: -315.921
Base-Backbone interact. energy: -0.658
local terms energy: -322.993573
where:
bonds (distance) C4'-P energy: -61.322
bonds (distance) P-C4' energy: -62.066
flat angles C4'-P-C4' energy: -65.024
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -85.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1004.159881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.159881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.159881 (E_RNA)
where:
Base-Base interactions energy: -713.256
where: short stacking energy: -296.242
Base-Backbone interact. energy: 2.373
local terms energy: -293.276545
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -56.435
flat angles C4'-P-C4' energy: -69.283
flat angles P-C4'-P energy: -39.896
tors. eta vs tors. theta energy: -70.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1003.066091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.066091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.066091 (E_RNA)
where:
Base-Base interactions energy: -708.722
where: short stacking energy: -306.763
Base-Backbone interact. energy: -1.058
local terms energy: -293.285161
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -55.485
flat angles C4'-P-C4' energy: -56.471
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -81.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -949.958402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.958402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.958402 (E_RNA)
where:
Base-Base interactions energy: -684.021
where: short stacking energy: -286.886
Base-Backbone interact. energy: -1.071
local terms energy: -264.865578
where:
bonds (distance) C4'-P energy: -45.496
bonds (distance) P-C4' energy: -52.560
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -44.101
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: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -876.640850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.640850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.640850 (E_RNA)
where:
Base-Base interactions energy: -586.622
where: short stacking energy: -268.139
Base-Backbone interact. energy: -1.339
local terms energy: -288.679290
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -57.263
flat angles C4'-P-C4' energy: -63.972
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -75.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -835.889176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.889176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.889176 (E_RNA)
where:
Base-Base interactions energy: -577.622
where: short stacking energy: -258.905
Base-Backbone interact. energy: -0.783
local terms energy: -257.484057
where:
bonds (distance) C4'-P energy: -48.007
bonds (distance) P-C4' energy: -55.684
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -58.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -740.278799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.278799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.278799 (E_RNA)
where:
Base-Base interactions energy: -499.482
where: short stacking energy: -221.027
Base-Backbone interact. energy: -1.132
local terms energy: -239.664399
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -41.328
flat angles C4'-P-C4' energy: -62.909
flat angles P-C4'-P energy: -27.607
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -577.475210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.475210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.475210 (E_RNA)
where:
Base-Base interactions energy: -348.883
where: short stacking energy: -169.565
Base-Backbone interact. energy: -1.910
local terms energy: -226.681983
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -62.192
flat angles C4'-P-C4' energy: -39.285
flat angles P-C4'-P energy: -26.019
tors. eta vs tors. theta energy: -38.847
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: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -504.467026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.467026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.467026 (E_RNA)
where:
Base-Base interactions energy: -293.603
where: short stacking energy: -137.219
Base-Backbone interact. energy: -1.419
local terms energy: -209.444817
where:
bonds (distance) C4'-P energy: -47.858
bonds (distance) P-C4' energy: -57.551
flat angles C4'-P-C4' energy: -49.256
flat angles P-C4'-P energy: -35.133
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -408.290800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.290800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.290800 (E_RNA)
where:
Base-Base interactions energy: -234.144
where: short stacking energy: -120.754
Base-Backbone interact. energy: -1.019
local terms energy: -173.127416
where:
bonds (distance) C4'-P energy: -39.841
bonds (distance) P-C4' energy: -44.926
flat angles C4'-P-C4' energy: -41.805
flat angles P-C4'-P energy: -38.760
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1065.895973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.895973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.895973 (E_RNA)
where:
Base-Base interactions energy: -748.110
where: short stacking energy: -310.266
Base-Backbone interact. energy: -0.741
local terms energy: -317.044883
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -68.551
flat angles C4'-P-C4' energy: -70.876
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -75.670
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: 52
Temperature: 0.950000
Total energy: -1023.979427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.979427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.979427 (E_RNA)
where:
Base-Base interactions energy: -738.018
where: short stacking energy: -303.994
Base-Backbone interact. energy: -2.861
local terms energy: -283.100422
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -70.707
flat angles P-C4'-P energy: -26.447
tors. eta vs tors. theta energy: -71.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -999.249722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.249722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.249722 (E_RNA)
where:
Base-Base interactions energy: -692.244
where: short stacking energy: -298.734
Base-Backbone interact. energy: -0.846
local terms energy: -306.159320
where:
bonds (distance) C4'-P energy: -55.601
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -59.380
flat angles P-C4'-P energy: -52.110
tors. eta vs tors. theta energy: -83.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -941.921353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.921353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.921353 (E_RNA)
where:
Base-Base interactions energy: -660.875
where: short stacking energy: -273.711
Base-Backbone interact. energy: -1.703
local terms energy: -279.343476
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -61.527
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -39.727
tors. eta vs tors. theta energy: -60.531
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: 52
Temperature: 1.100000
Total energy: -887.716936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.716936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.716936 (E_RNA)
where:
Base-Base interactions energy: -608.472
where: short stacking energy: -262.480
Base-Backbone interact. energy: -1.110
local terms energy: -278.134849
where:
bonds (distance) C4'-P energy: -59.427
bonds (distance) P-C4' energy: -53.384
flat angles C4'-P-C4' energy: -58.067
flat angles P-C4'-P energy: -38.494
tors. eta vs tors. theta energy: -68.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -836.638080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.638080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.638080 (E_RNA)
where:
Base-Base interactions energy: -564.760
where: short stacking energy: -255.818
Base-Backbone interact. energy: -1.334
local terms energy: -270.543632
where:
bonds (distance) C4'-P energy: -55.874
bonds (distance) P-C4' energy: -49.842
flat angles C4'-P-C4' energy: -56.221
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -67.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -768.289216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.289216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.289216 (E_RNA)
where:
Base-Base interactions energy: -514.492
where: short stacking energy: -225.217
Base-Backbone interact. energy: 0.910
local terms energy: -254.707425
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -30.197
tors. eta vs tors. theta energy: -57.658
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: 4
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -568.403485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.403485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.403485 (E_RNA)
where:
Base-Base interactions energy: -360.349
where: short stacking energy: -151.701
Base-Backbone interact. energy: -0.374
local terms energy: -207.680508
where:
bonds (distance) C4'-P energy: -45.242
bonds (distance) P-C4' energy: -59.056
flat angles C4'-P-C4' energy: -37.722
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -31.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -440.032215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.032215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.032215 (E_RNA)
where:
Base-Base interactions energy: -232.486
where: short stacking energy: -145.102
Base-Backbone interact. energy: -0.864
local terms energy: -206.682624
where:
bonds (distance) C4'-P energy: -49.245
bonds (distance) P-C4' energy: -61.659
flat angles C4'-P-C4' energy: -49.986
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -12.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -487.999053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.999053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.999053 (E_RNA)
where:
Base-Base interactions energy: -294.939
where: short stacking energy: -140.501
Base-Backbone interact. energy: -1.918
local terms energy: -191.141980
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -31.481
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -19.829
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: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1053.890631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.890631 (E_RNA)
where:
Base-Base interactions energy: -736.481
where: short stacking energy: -308.092
Base-Backbone interact. energy: -0.633
local terms energy: -316.777117
where:
bonds (distance) C4'-P energy: -69.550
bonds (distance) P-C4' energy: -57.154
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -37.643
tors. eta vs tors. theta energy: -82.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1038.815113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.815113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.815113 (E_RNA)
where:
Base-Base interactions energy: -726.932
where: short stacking energy: -322.261
Base-Backbone interact. energy: -0.582
local terms energy: -311.300621
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -65.937
flat angles C4'-P-C4' energy: -64.098
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: -91.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -979.327573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.327573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.327573 (E_RNA)
where:
Base-Base interactions energy: -697.158
where: short stacking energy: -278.412
Base-Backbone interact. energy: -3.073
local terms energy: -279.095921
where:
bonds (distance) C4'-P energy: -56.033
bonds (distance) P-C4' energy: -52.012
flat angles C4'-P-C4' energy: -63.321
flat angles P-C4'-P energy: -42.910
tors. eta vs tors. theta energy: -64.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -936.875197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.875197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.875197 (E_RNA)
where:
Base-Base interactions energy: -664.554
where: short stacking energy: -273.580
Base-Backbone interact. energy: -0.553
local terms energy: -271.768473
where:
bonds (distance) C4'-P energy: -60.121
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -21.588
tors. eta vs tors. theta energy: -70.463
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: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -896.247870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.247870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.247870 (E_RNA)
where:
Base-Base interactions energy: -610.569
where: short stacking energy: -254.215
Base-Backbone interact. energy: -2.808
local terms energy: -282.871392
where:
bonds (distance) C4'-P energy: -56.077
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -61.568
flat angles P-C4'-P energy: -40.004
tors. eta vs tors. theta energy: -65.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -828.487754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.487754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.487754 (E_RNA)
where:
Base-Base interactions energy: -552.295
where: short stacking energy: -241.008
Base-Backbone interact. energy: -0.609
local terms energy: -275.583628
where:
bonds (distance) C4'-P energy: -52.223
bonds (distance) P-C4' energy: -59.128
flat angles C4'-P-C4' energy: -58.564
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -60.283
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: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -720.112170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.112170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.112170 (E_RNA)
where:
Base-Base interactions energy: -494.975
where: short stacking energy: -230.789
Base-Backbone interact. energy: -0.212
local terms energy: -224.925672
where:
bonds (distance) C4'-P energy: -42.452
bonds (distance) P-C4' energy: -44.502
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -49.890
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: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -563.096235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.096235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.096235 (E_RNA)
where:
Base-Base interactions energy: -336.141
where: short stacking energy: -163.505
Base-Backbone interact. energy: 0.617
local terms energy: -227.572053
where:
bonds (distance) C4'-P energy: -53.067
bonds (distance) P-C4' energy: -63.023
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -433.327079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.327079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.327079 (E_RNA)
where:
Base-Base interactions energy: -236.188
where: short stacking energy: -121.674
Base-Backbone interact. energy: -0.369
local terms energy: -196.769973
where:
bonds (distance) C4'-P energy: -56.078
bonds (distance) P-C4' energy: -56.224
flat angles C4'-P-C4' energy: -50.231
flat angles P-C4'-P energy: -26.918
tors. eta vs tors. theta energy: -7.319
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -476.627854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.627854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.627854 (E_RNA)
where:
Base-Base interactions energy: -281.853
where: short stacking energy: -129.754
Base-Backbone interact. energy: -0.384
local terms energy: -194.391627
where:
bonds (distance) C4'-P energy: -57.820
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -40.450
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -16.058
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1073.680522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.680522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.680522 (E_RNA)
where:
Base-Base interactions energy: -742.424
where: short stacking energy: -328.487
Base-Backbone interact. energy: 0.153
local terms energy: -331.408745
where:
bonds (distance) C4'-P energy: -59.939
bonds (distance) P-C4' energy: -60.842
flat angles C4'-P-C4' energy: -67.873
flat angles P-C4'-P energy: -50.361
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: 2, replica: 6
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1041.366371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.366371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.366371 (E_RNA)
where:
Base-Base interactions energy: -721.431
where: short stacking energy: -318.983
Base-Backbone interact. energy: -1.493
local terms energy: -318.443169
where:
bonds (distance) C4'-P energy: -62.956
bonds (distance) P-C4' energy: -62.482
flat angles C4'-P-C4' energy: -62.828
flat angles P-C4'-P energy: -46.785
tors. eta vs tors. theta energy: -83.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -986.547021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.547021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.547021 (E_RNA)
where:
Base-Base interactions energy: -685.893
where: short stacking energy: -296.616
Base-Backbone interact. energy: -1.944
local terms energy: -298.710204
where:
bonds (distance) C4'-P energy: -62.492
bonds (distance) P-C4' energy: -58.419
flat angles C4'-P-C4' energy: -63.559
flat angles P-C4'-P energy: -40.565
tors. eta vs tors. theta energy: -73.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -931.279142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.279142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.279142 (E_RNA)
where:
Base-Base interactions energy: -654.987
where: short stacking energy: -271.912
Base-Backbone interact. energy: -3.376
local terms energy: -272.915881
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -58.203
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -34.299
tors. eta vs tors. theta energy: -66.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -909.923061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.923061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.923061 (E_RNA)
where:
Base-Base interactions energy: -636.641
where: short stacking energy: -267.725
Base-Backbone interact. energy: -0.777
local terms energy: -272.505371
where:
bonds (distance) C4'-P energy: -54.649
bonds (distance) P-C4' energy: -50.558
flat angles C4'-P-C4' energy: -61.523
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -70.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -851.149983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.149983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.149983 (E_RNA)
where:
Base-Base interactions energy: -562.953
where: short stacking energy: -247.682
Base-Backbone interact. energy: -0.836
local terms energy: -287.360710
where:
bonds (distance) C4'-P energy: -47.185
bonds (distance) P-C4' energy: -56.013
flat angles C4'-P-C4' energy: -71.211
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -66.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -739.094575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.094575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.094575 (E_RNA)
where:
Base-Base interactions energy: -467.100
where: short stacking energy: -218.788
Base-Backbone interact. energy: -0.395
local terms energy: -271.599163
where:
bonds (distance) C4'-P energy: -52.607
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -66.362
flat angles P-C4'-P energy: -41.874
tors. eta vs tors. theta energy: -59.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -616.455931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.455931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.455931 (E_RNA)
where:
Base-Base interactions energy: -399.106
where: short stacking energy: -179.071
Base-Backbone interact. energy: -0.721
local terms energy: -216.628627
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -52.383
flat angles C4'-P-C4' energy: -45.327
flat angles P-C4'-P energy: -28.953
tors. eta vs tors. theta energy: -44.240
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: 9
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -483.915270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.915270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.915270 (E_RNA)
where:
Base-Base interactions energy: -292.499
where: short stacking energy: -142.133
Base-Backbone interact. energy: 6.439
local terms energy: -197.855936
where:
bonds (distance) C4'-P energy: -47.770
bonds (distance) P-C4' energy: -52.153
flat angles C4'-P-C4' energy: -45.902
flat angles P-C4'-P energy: -25.587
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -422.562862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.562862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.562862 (E_RNA)
where:
Base-Base interactions energy: -225.387
where: short stacking energy: -130.314
Base-Backbone interact. energy: 3.402
local terms energy: -200.577856
where:
bonds (distance) C4'-P energy: -51.846
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -63.223
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -11.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1070.029091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.029091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.029091 (E_RNA)
where:
Base-Base interactions energy: -752.518
where: short stacking energy: -302.590
Base-Backbone interact. energy: -1.164
local terms energy: -316.346310
where:
bonds (distance) C4'-P energy: -56.070
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -73.011
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: -86.815
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: 6
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1029.469668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.469668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.469668 (E_RNA)
where:
Base-Base interactions energy: -704.313
where: short stacking energy: -310.898
Base-Backbone interact. energy: -0.517
local terms energy: -324.639097
where:
bonds (distance) C4'-P energy: -65.418
bonds (distance) P-C4' energy: -63.805
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -50.084
tors. eta vs tors. theta energy: -83.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -980.411613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.411613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.411613 (E_RNA)
where:
Base-Base interactions energy: -693.151
where: short stacking energy: -296.365
Base-Backbone interact. energy: -2.005
local terms energy: -285.255145
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -48.335
flat angles C4'-P-C4' energy: -66.273
flat angles P-C4'-P energy: -34.323
tors. eta vs tors. theta energy: -78.769
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: 5
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -921.840657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.840657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.840657 (E_RNA)
where:
Base-Base interactions energy: -656.922
where: short stacking energy: -265.874
Base-Backbone interact. energy: -2.824
local terms energy: -262.094775
where:
bonds (distance) C4'-P energy: -54.491
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -65.944
flat angles P-C4'-P energy: -32.593
tors. eta vs tors. theta energy: -61.577
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: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -898.201689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.201689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.201689 (E_RNA)
where:
Base-Base interactions energy: -610.050
where: short stacking energy: -253.099
Base-Backbone interact. energy: -1.813
local terms energy: -286.338695
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -57.999
flat angles C4'-P-C4' energy: -62.561
flat angles P-C4'-P energy: -39.042
tors. eta vs tors. theta energy: -73.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -864.395421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.395421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.395421 (E_RNA)
where:
Base-Base interactions energy: -582.542
where: short stacking energy: -258.602
Base-Backbone interact. energy: -0.825
local terms energy: -281.028185
where:
bonds (distance) C4'-P energy: -54.297
bonds (distance) P-C4' energy: -53.180
flat angles C4'-P-C4' energy: -65.833
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -66.561
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: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -737.749575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.749575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.749575 (E_RNA)
where:
Base-Base interactions energy: -480.156
where: short stacking energy: -209.090
Base-Backbone interact. energy: 1.121
local terms energy: -258.714320
where:
bonds (distance) C4'-P energy: -68.056
bonds (distance) P-C4' energy: -53.593
flat angles C4'-P-C4' energy: -56.830
flat angles P-C4'-P energy: -32.503
tors. eta vs tors. theta energy: -47.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -653.933950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.933950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.933950 (E_RNA)
where:
Base-Base interactions energy: -433.489
where: short stacking energy: -205.235
Base-Backbone interact. energy: 3.587
local terms energy: -224.032059
where:
bonds (distance) C4'-P energy: -45.302
bonds (distance) P-C4' energy: -54.889
flat angles C4'-P-C4' energy: -42.236
flat angles P-C4'-P energy: -27.048
tors. eta vs tors. theta energy: -54.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -537.528885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.528885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.528885 (E_RNA)
where:
Base-Base interactions energy: -347.383
where: short stacking energy: -156.205
Base-Backbone interact. energy: 0.669
local terms energy: -190.814874
where:
bonds (distance) C4'-P energy: -60.689
bonds (distance) P-C4' energy: -39.357
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -19.530
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: 55
Temperature: 1.350000
Total energy: -436.516721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.516721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.516721 (E_RNA)
where:
Base-Base interactions energy: -251.628
where: short stacking energy: -139.135
Base-Backbone interact. energy: 0.039
local terms energy: -184.927194
where:
bonds (distance) C4'-P energy: -41.140
bonds (distance) P-C4' energy: -49.400
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -33.080
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1058.689855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.689855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.689855 (E_RNA)
where:
Base-Base interactions energy: -742.132
where: short stacking energy: -327.134
Base-Backbone interact. energy: 6.380
local terms energy: -322.937989
where:
bonds (distance) C4'-P energy: -65.100
bonds (distance) P-C4' energy: -62.858
flat angles C4'-P-C4' energy: -64.271
flat angles P-C4'-P energy: -39.976
tors. eta vs tors. theta energy: -90.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1050.313748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.313748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.313748 (E_RNA)
where:
Base-Base interactions energy: -723.008
where: short stacking energy: -298.104
Base-Backbone interact. energy: -1.032
local terms energy: -326.274233
where:
bonds (distance) C4'-P energy: -62.381
bonds (distance) P-C4' energy: -62.912
flat angles C4'-P-C4' energy: -71.310
flat angles P-C4'-P energy: -42.823
tors. eta vs tors. theta energy: -86.848
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: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -971.887893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.887893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.887893 (E_RNA)
where:
Base-Base interactions energy: -697.434
where: short stacking energy: -279.802
Base-Backbone interact. energy: -1.592
local terms energy: -272.861792
where:
bonds (distance) C4'-P energy: -48.908
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -56.427
flat angles P-C4'-P energy: -42.177
tors. eta vs tors. theta energy: -65.182
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: 5
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -928.136281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.136281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.136281 (E_RNA)
where:
Base-Base interactions energy: -638.327
where: short stacking energy: -261.792
Base-Backbone interact. energy: 2.415
local terms energy: -292.224617
where:
bonds (distance) C4'-P energy: -57.120
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -61.503
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: 5, replica: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -891.823861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.823861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.823861 (E_RNA)
where:
Base-Base interactions energy: -603.185
where: short stacking energy: -278.659
Base-Backbone interact. energy: 0.689
local terms energy: -289.327498
where:
bonds (distance) C4'-P energy: -56.531
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -83.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -866.684815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.684815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.684815 (E_RNA)
where:
Base-Base interactions energy: -601.258
where: short stacking energy: -242.932
Base-Backbone interact. energy: -3.600
local terms energy: -261.826593
where:
bonds (distance) C4'-P energy: -54.222
bonds (distance) P-C4' energy: -55.971
flat angles C4'-P-C4' energy: -63.153
flat angles P-C4'-P energy: -34.295
tors. eta vs tors. theta energy: -54.186
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: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -730.123271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.123271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.123271 (E_RNA)
where:
Base-Base interactions energy: -470.864
where: short stacking energy: -218.253
Base-Backbone interact. energy: -1.760
local terms energy: -257.499616
where:
bonds (distance) C4'-P energy: -46.739
bonds (distance) P-C4' energy: -58.835
flat angles C4'-P-C4' energy: -60.911
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -53.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -657.051174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.051174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.051174 (E_RNA)
where:
Base-Base interactions energy: -418.968
where: short stacking energy: -176.243
Base-Backbone interact. energy: 0.790
local terms energy: -238.873002
where:
bonds (distance) C4'-P energy: -60.359
bonds (distance) P-C4' energy: -56.545
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -34.456
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -481.776118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.776118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.776118 (E_RNA)
where:
Base-Base interactions energy: -288.112
where: short stacking energy: -135.106
Base-Backbone interact. energy: -0.952
local terms energy: -192.711394
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -60.750
flat angles C4'-P-C4' energy: -41.642
flat angles P-C4'-P energy: -29.782
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -510.401271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.401271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.401271 (E_RNA)
where:
Base-Base interactions energy: -303.996
where: short stacking energy: -159.561
Base-Backbone interact. energy: 0.812
local terms energy: -207.217541
where:
bonds (distance) C4'-P energy: -46.067
bonds (distance) P-C4' energy: -52.534
flat angles C4'-P-C4' energy: -46.303
flat angles P-C4'-P energy: -30.843
tors. eta vs tors. theta energy: -31.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1076.160982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.160982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.160982 (E_RNA)
where:
Base-Base interactions energy: -746.994
where: short stacking energy: -316.438
Base-Backbone interact. energy: -1.342
local terms energy: -327.824653
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -64.282
flat angles C4'-P-C4' energy: -66.206
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -88.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1041.500461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.500461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.500461 (E_RNA)
where:
Base-Base interactions energy: -719.598
where: short stacking energy: -295.952
Base-Backbone interact. energy: -0.395
local terms energy: -321.507786
where:
bonds (distance) C4'-P energy: -59.090
bonds (distance) P-C4' energy: -68.579
flat angles C4'-P-C4' energy: -60.256
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -83.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -979.194083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.194083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.194083 (E_RNA)
where:
Base-Base interactions energy: -667.859
where: short stacking energy: -271.130
Base-Backbone interact. energy: -3.406
local terms energy: -307.928635
where:
bonds (distance) C4'-P energy: -64.869
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -68.016
flat angles P-C4'-P energy: -49.914
tors. eta vs tors. theta energy: -73.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -942.280309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.280309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.280309 (E_RNA)
where:
Base-Base interactions energy: -637.516
where: short stacking energy: -294.265
Base-Backbone interact. energy: 0.110
local terms energy: -304.874014
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -57.097
flat angles C4'-P-C4' energy: -65.378
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -78.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -891.526331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.526331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.526331 (E_RNA)
where:
Base-Base interactions energy: -625.234
where: short stacking energy: -267.598
Base-Backbone interact. energy: -0.831
local terms energy: -265.460900
where:
bonds (distance) C4'-P energy: -47.579
bonds (distance) P-C4' energy: -56.221
flat angles C4'-P-C4' energy: -66.018
flat angles P-C4'-P energy: -35.429
tors. eta vs tors. theta energy: -60.213
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: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -856.916092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.916092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.916092 (E_RNA)
where:
Base-Base interactions energy: -578.264
where: short stacking energy: -243.517
Base-Backbone interact. energy: -1.562
local terms energy: -277.089900
where:
bonds (distance) C4'-P energy: -58.087
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -61.252
flat angles P-C4'-P energy: -45.602
tors. eta vs tors. theta energy: -62.080
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -733.527373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.527373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.527373 (E_RNA)
where:
Base-Base interactions energy: -469.403
where: short stacking energy: -225.560
Base-Backbone interact. energy: -1.930
local terms energy: -262.195016
where:
bonds (distance) C4'-P energy: -57.826
bonds (distance) P-C4' energy: -58.891
flat angles C4'-P-C4' energy: -57.924
flat angles P-C4'-P energy: -34.732
tors. eta vs tors. theta energy: -52.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -597.949089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.949089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.949089 (E_RNA)
where:
Base-Base interactions energy: -368.070
where: short stacking energy: -180.128
Base-Backbone interact. energy: -1.999
local terms energy: -227.880542
where:
bonds (distance) C4'-P energy: -55.859
bonds (distance) P-C4' energy: -58.349
flat angles C4'-P-C4' energy: -52.274
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -29.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -490.091837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.091837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.091837 (E_RNA)
where:
Base-Base interactions energy: -321.372
where: short stacking energy: -138.761
Base-Backbone interact. energy: -0.146
local terms energy: -168.573857
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -47.635
flat angles P-C4'-P energy: -26.576
tors. eta vs tors. theta energy: -9.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -528.174865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.174865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.174865 (E_RNA)
where:
Base-Base interactions energy: -340.876
where: short stacking energy: -161.677
Base-Backbone interact. energy: 0.576
local terms energy: -187.874017
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -45.003
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -29.083
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: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1086.236761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.236761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.236761 (E_RNA)
where:
Base-Base interactions energy: -776.473
where: short stacking energy: -323.968
Base-Backbone interact. energy: -2.133
local terms energy: -307.630842
where:
bonds (distance) C4'-P energy: -64.176
bonds (distance) P-C4' energy: -59.592
flat angles C4'-P-C4' energy: -61.557
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -83.302
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: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1028.755772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.755772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.755772 (E_RNA)
where:
Base-Base interactions energy: -726.427
where: short stacking energy: -295.449
Base-Backbone interact. energy: 2.648
local terms energy: -304.976492
where:
bonds (distance) C4'-P energy: -53.794
bonds (distance) P-C4' energy: -69.217
flat angles C4'-P-C4' energy: -65.979
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -78.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -973.458244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.458244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.458244 (E_RNA)
where:
Base-Base interactions energy: -675.222
where: short stacking energy: -279.072
Base-Backbone interact. energy: -3.061
local terms energy: -295.175165
where:
bonds (distance) C4'-P energy: -62.672
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -67.140
flat angles P-C4'-P energy: -44.727
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: 4, replica: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -917.835922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.835922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.835922 (E_RNA)
where:
Base-Base interactions energy: -637.604
where: short stacking energy: -288.921
Base-Backbone interact. energy: -0.325
local terms energy: -279.906916
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -67.408
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -68.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -899.026339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.026339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.026339 (E_RNA)
where:
Base-Base interactions energy: -628.930
where: short stacking energy: -277.336
Base-Backbone interact. energy: 0.921
local terms energy: -271.018032
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -32.211
tors. eta vs tors. theta energy: -66.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -824.619428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.619428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.619428 (E_RNA)
where:
Base-Base interactions energy: -560.754
where: short stacking energy: -252.007
Base-Backbone interact. energy: -0.031
local terms energy: -263.833930
where:
bonds (distance) C4'-P energy: -46.799
bonds (distance) P-C4' energy: -57.675
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -60.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -738.230772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.230772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.230772 (E_RNA)
where:
Base-Base interactions energy: -507.989
where: short stacking energy: -211.969
Base-Backbone interact. energy: -1.482
local terms energy: -228.760015
where:
bonds (distance) C4'-P energy: -43.498
bonds (distance) P-C4' energy: -60.595
flat angles C4'-P-C4' energy: -51.023
flat angles P-C4'-P energy: -27.969
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: 8, replica: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -602.783625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.783625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.783625 (E_RNA)
where:
Base-Base interactions energy: -358.934
where: short stacking energy: -164.712
Base-Backbone interact. energy: -1.254
local terms energy: -242.595874
where:
bonds (distance) C4'-P energy: -48.342
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -58.592
flat angles P-C4'-P energy: -40.591
tors. eta vs tors. theta energy: -36.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -531.767437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.767437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.767437 (E_RNA)
where:
Base-Base interactions energy: -325.417
where: short stacking energy: -137.369
Base-Backbone interact. energy: 3.219
local terms energy: -209.570099
where:
bonds (distance) C4'-P energy: -47.665
bonds (distance) P-C4' energy: -58.015
flat angles C4'-P-C4' energy: -55.265
flat angles P-C4'-P energy: -24.827
tors. eta vs tors. theta energy: -23.798
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: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -429.591605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.591605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.591605 (E_RNA)
where:
Base-Base interactions energy: -231.158
where: short stacking energy: -109.134
Base-Backbone interact. energy: -1.283
local terms energy: -197.151203
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -55.709
flat angles C4'-P-C4' energy: -46.077
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -6.542
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: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1089.909061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.909061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.909061 (E_RNA)
where:
Base-Base interactions energy: -760.665
where: short stacking energy: -311.944
Base-Backbone interact. energy: -1.518
local terms energy: -327.726293
where:
bonds (distance) C4'-P energy: -57.357
bonds (distance) P-C4' energy: -68.996
flat angles C4'-P-C4' energy: -70.506
flat angles P-C4'-P energy: -45.341
tors. eta vs tors. theta energy: -85.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1022.715933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.715933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.715933 (E_RNA)
where:
Base-Base interactions energy: -710.282
where: short stacking energy: -291.759
Base-Backbone interact. energy: -0.540
local terms energy: -311.894545
where:
bonds (distance) C4'-P energy: -47.210
bonds (distance) P-C4' energy: -67.419
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -49.761
tors. eta vs tors. theta energy: -77.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -979.600892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.600892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.600892 (E_RNA)
where:
Base-Base interactions energy: -696.086
where: short stacking energy: -285.520
Base-Backbone interact. energy: 0.041
local terms energy: -283.555561
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -57.671
flat angles C4'-P-C4' energy: -64.387
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -70.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -931.317352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.317352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.317352 (E_RNA)
where:
Base-Base interactions energy: -643.721
where: short stacking energy: -279.887
Base-Backbone interact. energy: -1.997
local terms energy: -285.599620
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -64.619
flat angles C4'-P-C4' energy: -55.597
flat angles P-C4'-P energy: -42.105
tors. eta vs tors. theta energy: -73.742
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: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -894.947552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.947552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.947552 (E_RNA)
where:
Base-Base interactions energy: -607.602
where: short stacking energy: -273.438
Base-Backbone interact. energy: -0.336
local terms energy: -287.009537
where:
bonds (distance) C4'-P energy: -56.839
bonds (distance) P-C4' energy: -54.411
flat angles C4'-P-C4' energy: -61.653
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -76.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -757.248941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.248941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.248941 (E_RNA)
where:
Base-Base interactions energy: -521.184
where: short stacking energy: -225.474
Base-Backbone interact. energy: 1.195
local terms energy: -237.259907
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -54.140
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -49.631
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: 2
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -803.646387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.646387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.646387 (E_RNA)
where:
Base-Base interactions energy: -532.893
where: short stacking energy: -236.339
Base-Backbone interact. energy: 0.507
local terms energy: -271.260312
where:
bonds (distance) C4'-P energy: -49.575
bonds (distance) P-C4' energy: -62.184
flat angles C4'-P-C4' energy: -57.830
flat angles P-C4'-P energy: -37.980
tors. eta vs tors. theta energy: -63.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -581.646998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.646998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.646998 (E_RNA)
where:
Base-Base interactions energy: -368.134
where: short stacking energy: -172.352
Base-Backbone interact. energy: -1.510
local terms energy: -212.002237
where:
bonds (distance) C4'-P energy: -49.175
bonds (distance) P-C4' energy: -51.431
flat angles C4'-P-C4' energy: -47.341
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -35.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -528.200903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.200903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.200903 (E_RNA)
where:
Base-Base interactions energy: -343.911
where: short stacking energy: -176.251
Base-Backbone interact. energy: 0.466
local terms energy: -184.755782
where:
bonds (distance) C4'-P energy: -41.417
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -412.225442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.225442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.225442 (E_RNA)
where:
Base-Base interactions energy: -236.557
where: short stacking energy: -117.768
Base-Backbone interact. energy: 1.989
local terms energy: -177.657178
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -51.060
flat angles C4'-P-C4' energy: -43.476
flat angles P-C4'-P energy: -23.887
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1081.855249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.855249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.855249 (E_RNA)
where:
Base-Base interactions energy: -762.266
where: short stacking energy: -332.709
Base-Backbone interact. energy: 1.225
local terms energy: -320.814164
where:
bonds (distance) C4'-P energy: -54.470
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -71.586
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -88.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1041.571401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.571401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.571401 (E_RNA)
where:
Base-Base interactions energy: -725.235
where: short stacking energy: -307.148
Base-Backbone interact. energy: -0.086
local terms energy: -316.250392
where:
bonds (distance) C4'-P energy: -59.554
bonds (distance) P-C4' energy: -56.778
flat angles C4'-P-C4' energy: -66.195
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -84.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -984.440105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.440105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.440105 (E_RNA)
where:
Base-Base interactions energy: -699.538
where: short stacking energy: -297.862
Base-Backbone interact. energy: -1.598
local terms energy: -283.304541
where:
bonds (distance) C4'-P energy: -47.610
bonds (distance) P-C4' energy: -59.607
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -39.844
tors. eta vs tors. theta energy: -69.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -921.395666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.395666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.395666 (E_RNA)
where:
Base-Base interactions energy: -634.454
where: short stacking energy: -276.603
Base-Backbone interact. energy: -2.257
local terms energy: -284.684539
where:
bonds (distance) C4'-P energy: -53.200
bonds (distance) P-C4' energy: -61.023
flat angles C4'-P-C4' energy: -55.610
flat angles P-C4'-P energy: -42.077
tors. eta vs tors. theta energy: -72.773
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: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -901.713882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.713882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.713882 (E_RNA)
where:
Base-Base interactions energy: -600.599
where: short stacking energy: -274.004
Base-Backbone interact. energy: -0.437
local terms energy: -300.677342
where:
bonds (distance) C4'-P energy: -57.621
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -59.786
flat angles P-C4'-P energy: -40.635
tors. eta vs tors. theta energy: -82.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -779.151386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.151386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.151386 (E_RNA)
where:
Base-Base interactions energy: -531.223
where: short stacking energy: -239.395
Base-Backbone interact. energy: -0.858
local terms energy: -247.070055
where:
bonds (distance) C4'-P energy: -43.166
bonds (distance) P-C4' energy: -61.040
flat angles C4'-P-C4' energy: -49.952
flat angles P-C4'-P energy: -33.821
tors. eta vs tors. theta energy: -59.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -763.838032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.838032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.838032 (E_RNA)
where:
Base-Base interactions energy: -518.762
where: short stacking energy: -224.273
Base-Backbone interact. energy: 0.457
local terms energy: -245.533189
where:
bonds (distance) C4'-P energy: -46.219
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -51.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -555.834719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.834719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.834719 (E_RNA)
where:
Base-Base interactions energy: -356.980
where: short stacking energy: -165.704
Base-Backbone interact. energy: -2.466
local terms energy: -196.388873
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -50.022
flat angles C4'-P-C4' energy: -48.340
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -25.929
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: 4
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -523.277073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.277073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.277073 (E_RNA)
where:
Base-Base interactions energy: -308.373
where: short stacking energy: -147.211
Base-Backbone interact. energy: 1.822
local terms energy: -216.725993
where:
bonds (distance) C4'-P energy: -57.536
bonds (distance) P-C4' energy: -49.378
flat angles C4'-P-C4' energy: -52.693
flat angles P-C4'-P energy: -33.985
tors. eta vs tors. theta energy: -23.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -408.621556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.621556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.621556 (E_RNA)
where:
Base-Base interactions energy: -244.842
where: short stacking energy: -131.762
Base-Backbone interact. energy: 3.554
local terms energy: -167.333987
where:
bonds (distance) C4'-P energy: -46.781
bonds (distance) P-C4' energy: -32.985
flat angles C4'-P-C4' energy: -42.363
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -8.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1077.205096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.205096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.205096 (E_RNA)
where:
Base-Base interactions energy: -738.278
where: short stacking energy: -330.174
Base-Backbone interact. energy: -0.129
local terms energy: -338.798046
where:
bonds (distance) C4'-P energy: -62.054
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -74.273
flat angles P-C4'-P energy: -49.182
tors. eta vs tors. theta energy: -92.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1045.131064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.131064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.131064 (E_RNA)
where:
Base-Base interactions energy: -743.295
where: short stacking energy: -311.603
Base-Backbone interact. energy: 0.453
local terms energy: -302.289005
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -61.835
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -33.287
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: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -974.776103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.776103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.776103 (E_RNA)
where:
Base-Base interactions energy: -678.912
where: short stacking energy: -296.853
Base-Backbone interact. energy: -1.426
local terms energy: -294.437830
where:
bonds (distance) C4'-P energy: -58.150
bonds (distance) P-C4' energy: -62.848
flat angles C4'-P-C4' energy: -60.052
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -74.658
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: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -912.998354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.998354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.998354 (E_RNA)
where:
Base-Base interactions energy: -633.422
where: short stacking energy: -271.695
Base-Backbone interact. energy: 2.598
local terms energy: -282.174462
where:
bonds (distance) C4'-P energy: -55.719
bonds (distance) P-C4' energy: -52.982
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -46.269
tors. eta vs tors. theta energy: -63.141
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: 61
Temperature: 1.100000
Total energy: -888.977136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.977136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.977136 (E_RNA)
where:
Base-Base interactions energy: -596.217
where: short stacking energy: -279.038
Base-Backbone interact. energy: -1.655
local terms energy: -291.105085
where:
bonds (distance) C4'-P energy: -51.159
bonds (distance) P-C4' energy: -46.864
flat angles C4'-P-C4' energy: -68.527
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -79.717
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -820.565173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.565173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.565173 (E_RNA)
where:
Base-Base interactions energy: -566.566
where: short stacking energy: -243.540
Base-Backbone interact. energy: -0.299
local terms energy: -253.700413
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -51.689
flat angles P-C4'-P energy: -38.468
tors. eta vs tors. theta energy: -64.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -771.204551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.204551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.204551 (E_RNA)
where:
Base-Base interactions energy: -510.879
where: short stacking energy: -219.417
Base-Backbone interact. energy: -0.711
local terms energy: -259.614420
where:
bonds (distance) C4'-P energy: -44.893
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -54.696
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: -54.024
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: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -609.621843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.621843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.621843 (E_RNA)
where:
Base-Base interactions energy: -374.080
where: short stacking energy: -181.102
Base-Backbone interact. energy: 1.192
local terms energy: -236.733393
where:
bonds (distance) C4'-P energy: -55.722
bonds (distance) P-C4' energy: -61.026
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -25.491
tors. eta vs tors. theta energy: -42.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -533.583567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.583567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.583567 (E_RNA)
where:
Base-Base interactions energy: -303.595
where: short stacking energy: -147.465
Base-Backbone interact. energy: -0.865
local terms energy: -229.123765
where:
bonds (distance) C4'-P energy: -58.685
bonds (distance) P-C4' energy: -62.010
flat angles C4'-P-C4' energy: -54.755
flat angles P-C4'-P energy: -35.989
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -413.115632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.115632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.115632 (E_RNA)
where:
Base-Base interactions energy: -218.310
where: short stacking energy: -117.079
Base-Backbone interact. energy: 0.732
local terms energy: -195.536652
where:
bonds (distance) C4'-P energy: -55.654
bonds (distance) P-C4' energy: -59.002
flat angles C4'-P-C4' energy: -54.011
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -0.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1093.190288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.190288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.190288 (E_RNA)
where:
Base-Base interactions energy: -763.756
where: short stacking energy: -330.546
Base-Backbone interact. energy: -0.905
local terms energy: -328.529427
where:
bonds (distance) C4'-P energy: -64.494
bonds (distance) P-C4' energy: -59.586
flat angles C4'-P-C4' energy: -72.015
flat angles P-C4'-P energy: -44.138
tors. eta vs tors. theta energy: -88.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1041.544116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.544116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.544116 (E_RNA)
where:
Base-Base interactions energy: -725.371
where: short stacking energy: -310.819
Base-Backbone interact. energy: 0.592
local terms energy: -316.765083
where:
bonds (distance) C4'-P energy: -63.639
bonds (distance) P-C4' energy: -53.682
flat angles C4'-P-C4' energy: -70.935
flat angles P-C4'-P energy: -44.205
tors. eta vs tors. theta energy: -84.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -996.868795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.868795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.868795 (E_RNA)
where:
Base-Base interactions energy: -699.453
where: short stacking energy: -314.965
Base-Backbone interact. energy: -0.699
local terms energy: -296.716708
where:
bonds (distance) C4'-P energy: -42.090
bonds (distance) P-C4' energy: -66.429
flat angles C4'-P-C4' energy: -64.926
flat angles P-C4'-P energy: -47.943
tors. eta vs tors. theta energy: -75.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -949.596823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.596823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.596823 (E_RNA)
where:
Base-Base interactions energy: -666.405
where: short stacking energy: -288.311
Base-Backbone interact. energy: -2.750
local terms energy: -280.441112
where:
bonds (distance) C4'-P energy: -45.739
bonds (distance) P-C4' energy: -64.126
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -72.509
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: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -869.539926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.539926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.539926 (E_RNA)
where:
Base-Base interactions energy: -588.874
where: short stacking energy: -271.149
Base-Backbone interact. energy: -0.707
local terms energy: -279.959256
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -55.232
flat angles C4'-P-C4' energy: -56.614
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -64.434
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: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -763.560848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.560848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.560848 (E_RNA)
where:
Base-Base interactions energy: -506.092
where: short stacking energy: -234.320
Base-Backbone interact. energy: 2.681
local terms energy: -260.150461
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -60.706
flat angles C4'-P-C4' energy: -58.846
flat angles P-C4'-P energy: -25.053
tors. eta vs tors. theta energy: -55.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -787.303912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.303912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.303912 (E_RNA)
where:
Base-Base interactions energy: -538.716
where: short stacking energy: -228.118
Base-Backbone interact. energy: 0.018
local terms energy: -248.605531
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -56.311
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -50.017
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: 8, replica: 9
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -587.031859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.031859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.031859 (E_RNA)
where:
Base-Base interactions energy: -362.929
where: short stacking energy: -179.159
Base-Backbone interact. energy: -1.463
local terms energy: -222.639273
where:
bonds (distance) C4'-P energy: -66.354
bonds (distance) P-C4' energy: -53.288
flat angles C4'-P-C4' energy: -43.186
flat angles P-C4'-P energy: -27.960
tors. eta vs tors. theta energy: -31.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -535.830704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.830704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.830704 (E_RNA)
where:
Base-Base interactions energy: -336.560
where: short stacking energy: -151.298
Base-Backbone interact. energy: 1.588
local terms energy: -200.857868
where:
bonds (distance) C4'-P energy: -39.142
bonds (distance) P-C4' energy: -41.425
flat angles C4'-P-C4' energy: -55.615
flat angles P-C4'-P energy: -23.770
tors. eta vs tors. theta energy: -40.906
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: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -389.950547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.950547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.950547 (E_RNA)
where:
Base-Base interactions energy: -204.997
where: short stacking energy: -112.914
Base-Backbone interact. energy: 1.196
local terms energy: -186.148895
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -48.816
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.914
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: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1075.026748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.026748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.026748 (E_RNA)
where:
Base-Base interactions energy: -738.421
where: short stacking energy: -319.238
Base-Backbone interact. energy: -0.683
local terms energy: -335.922732
where:
bonds (distance) C4'-P energy: -63.633
bonds (distance) P-C4' energy: -66.650
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -41.823
tors. eta vs tors. theta energy: -96.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1053.796535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.796535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.796535 (E_RNA)
where:
Base-Base interactions energy: -730.468
where: short stacking energy: -300.469
Base-Backbone interact. energy: -1.961
local terms energy: -321.367306
where:
bonds (distance) C4'-P energy: -64.447
bonds (distance) P-C4' energy: -63.730
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: -85.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -996.058281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.058281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.058281 (E_RNA)
where:
Base-Base interactions energy: -698.671
where: short stacking energy: -306.224
Base-Backbone interact. energy: -2.219
local terms energy: -295.168422
where:
bonds (distance) C4'-P energy: -62.179
bonds (distance) P-C4' energy: -55.344
flat angles C4'-P-C4' energy: -65.223
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -81.536
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: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -937.876558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.876558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.876558 (E_RNA)
where:
Base-Base interactions energy: -652.771
where: short stacking energy: -280.241
Base-Backbone interact. energy: -2.344
local terms energy: -282.761347
where:
bonds (distance) C4'-P energy: -46.205
bonds (distance) P-C4' energy: -58.435
flat angles C4'-P-C4' energy: -62.997
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -70.767
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: 10
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -874.013516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.013516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.013516 (E_RNA)
where:
Base-Base interactions energy: -581.576
where: short stacking energy: -280.291
Base-Backbone interact. energy: 2.549
local terms energy: -294.986336
where:
bonds (distance) C4'-P energy: -63.043
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -66.856
flat angles P-C4'-P energy: -42.479
tors. eta vs tors. theta energy: -77.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -752.432481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.432481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.432481 (E_RNA)
where:
Base-Base interactions energy: -492.874
where: short stacking energy: -230.596
Base-Backbone interact. energy: -0.991
local terms energy: -258.568253
where:
bonds (distance) C4'-P energy: -51.143
bonds (distance) P-C4' energy: -55.600
flat angles C4'-P-C4' energy: -52.769
flat angles P-C4'-P energy: -40.661
tors. eta vs tors. theta energy: -58.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -794.611694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.611694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.611694 (E_RNA)
where:
Base-Base interactions energy: -550.640
where: short stacking energy: -231.046
Base-Backbone interact. energy: -1.548
local terms energy: -242.424482
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -30.291
tors. eta vs tors. theta energy: -56.071
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: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -523.936026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.936026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.936026 (E_RNA)
where:
Base-Base interactions energy: -329.687
where: short stacking energy: -142.915
Base-Backbone interact. energy: -0.428
local terms energy: -193.820843
where:
bonds (distance) C4'-P energy: -57.512
bonds (distance) P-C4' energy: -38.752
flat angles C4'-P-C4' energy: -56.899
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -571.416058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.416058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.416058 (E_RNA)
where:
Base-Base interactions energy: -342.941
where: short stacking energy: -162.973
Base-Backbone interact. energy: 1.310
local terms energy: -229.784908
where:
bonds (distance) C4'-P energy: -66.015
bonds (distance) P-C4' energy: -57.245
flat angles C4'-P-C4' energy: -42.100
flat angles P-C4'-P energy: -38.076
tors. eta vs tors. theta energy: -26.349
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: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -381.732046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.732046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.732046 (E_RNA)
where:
Base-Base interactions energy: -218.188
where: short stacking energy: -110.618
Base-Backbone interact. energy: -1.873
local terms energy: -161.670726
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -34.826
flat angles P-C4'-P energy: -34.784
tors. eta vs tors. theta energy: 7.481
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: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1055.215473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.215473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.215473 (E_RNA)
where:
Base-Base interactions energy: -748.456
where: short stacking energy: -311.722
Base-Backbone interact. energy: 2.305
local terms energy: -309.064768
where:
bonds (distance) C4'-P energy: -66.907
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -64.709
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -77.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1054.820489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.820489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.820489 (E_RNA)
where:
Base-Base interactions energy: -746.245
where: short stacking energy: -325.203
Base-Backbone interact. energy: -0.615
local terms energy: -307.960915
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -58.410
flat angles C4'-P-C4' energy: -70.138
flat angles P-C4'-P energy: -48.816
tors. eta vs tors. theta energy: -86.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -992.459483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.459483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.459483 (E_RNA)
where:
Base-Base interactions energy: -687.821
where: short stacking energy: -281.745
Base-Backbone interact. energy: -3.391
local terms energy: -301.246562
where:
bonds (distance) C4'-P energy: -54.102
bonds (distance) P-C4' energy: -60.410
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -44.607
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: 64
Temperature: 1.050000
Total energy: -928.934926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.934926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.934926 (E_RNA)
where:
Base-Base interactions energy: -653.660
where: short stacking energy: -277.898
Base-Backbone interact. energy: -4.349
local terms energy: -270.925763
where:
bonds (distance) C4'-P energy: -52.717
bonds (distance) P-C4' energy: -63.770
flat angles C4'-P-C4' energy: -58.943
flat angles P-C4'-P energy: -33.497
tors. eta vs tors. theta energy: -61.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -880.836572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.836572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.836572 (E_RNA)
where:
Base-Base interactions energy: -606.990
where: short stacking energy: -270.414
Base-Backbone interact. energy: -1.602
local terms energy: -272.244578
where:
bonds (distance) C4'-P energy: -53.457
bonds (distance) P-C4' energy: -62.200
flat angles C4'-P-C4' energy: -59.796
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -72.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -772.588294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.588294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.588294 (E_RNA)
where:
Base-Base interactions energy: -508.659
where: short stacking energy: -254.524
Base-Backbone interact. energy: 2.142
local terms energy: -266.071171
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -59.668
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -68.464
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: 2
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -764.412016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.412016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.412016 (E_RNA)
where:
Base-Base interactions energy: -499.203
where: short stacking energy: -228.284
Base-Backbone interact. energy: -0.619
local terms energy: -264.590033
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -49.771
flat angles C4'-P-C4' energy: -48.791
flat angles P-C4'-P energy: -45.043
tors. eta vs tors. theta energy: -70.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -506.714540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.714540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.714540 (E_RNA)
where:
Base-Base interactions energy: -312.459
where: short stacking energy: -155.236
Base-Backbone interact. energy: -0.910
local terms energy: -193.345418
where:
bonds (distance) C4'-P energy: -43.581
bonds (distance) P-C4' energy: -51.044
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -34.089
tors. eta vs tors. theta energy: -24.156
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: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -561.735291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.735291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.735291 (E_RNA)
where:
Base-Base interactions energy: -333.713
where: short stacking energy: -149.451
Base-Backbone interact. energy: 0.379
local terms energy: -228.401728
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -66.170
flat angles C4'-P-C4' energy: -53.070
flat angles P-C4'-P energy: -24.712
tors. eta vs tors. theta energy: -35.244
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: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -386.689800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.689800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.689800 (E_RNA)
where:
Base-Base interactions energy: -227.135
where: short stacking energy: -129.137
Base-Backbone interact. energy: -0.681
local terms energy: -158.874270
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -45.509
flat angles C4'-P-C4' energy: -49.369
flat angles P-C4'-P energy: -13.709
tors. eta vs tors. theta energy: -9.568
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: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1065.571385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.571385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.571385 (E_RNA)
where:
Base-Base interactions energy: -741.394
where: short stacking energy: -312.816
Base-Backbone interact. energy: -0.075
local terms energy: -324.102566
where:
bonds (distance) C4'-P energy: -56.891
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -68.805
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -86.007
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: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1054.613128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.613128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.613128 (E_RNA)
where:
Base-Base interactions energy: -750.568
where: short stacking energy: -302.141
Base-Backbone interact. energy: -1.099
local terms energy: -302.946243
where:
bonds (distance) C4'-P energy: -51.839
bonds (distance) P-C4' energy: -52.194
flat angles C4'-P-C4' energy: -71.853
flat angles P-C4'-P energy: -49.829
tors. eta vs tors. theta energy: -77.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -974.396395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.396395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.396395 (E_RNA)
where:
Base-Base interactions energy: -682.694
where: short stacking energy: -285.880
Base-Backbone interact. energy: -3.417
local terms energy: -288.285848
where:
bonds (distance) C4'-P energy: -49.366
bonds (distance) P-C4' energy: -64.793
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -73.524
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: 10
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -893.761481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.761481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.761481 (E_RNA)
where:
Base-Base interactions energy: -593.104
where: short stacking energy: -272.622
Base-Backbone interact. energy: -0.337
local terms energy: -300.320510
where:
bonds (distance) C4'-P energy: -53.129
bonds (distance) P-C4' energy: -61.526
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -82.917
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: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -903.818032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.818032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.818032 (E_RNA)
where:
Base-Base interactions energy: -637.300
where: short stacking energy: -264.633
Base-Backbone interact. energy: -0.637
local terms energy: -265.880979
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -52.533
flat angles C4'-P-C4' energy: -54.005
flat angles P-C4'-P energy: -38.880
tors. eta vs tors. theta energy: -62.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -843.710195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.710195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.710195 (E_RNA)
where:
Base-Base interactions energy: -581.339
where: short stacking energy: -255.961
Base-Backbone interact. energy: -1.315
local terms energy: -261.055770
where:
bonds (distance) C4'-P energy: -55.354
bonds (distance) P-C4' energy: -48.855
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: -61.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -742.135276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.135276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.135276 (E_RNA)
where:
Base-Base interactions energy: -494.301
where: short stacking energy: -219.359
Base-Backbone interact. energy: 0.171
local terms energy: -248.004674
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -54.617
flat angles C4'-P-C4' energy: -55.847
flat angles P-C4'-P energy: -24.919
tors. eta vs tors. theta energy: -49.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -557.663344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.663344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.663344 (E_RNA)
where:
Base-Base interactions energy: -364.677
where: short stacking energy: -157.205
Base-Backbone interact. energy: -2.183
local terms energy: -190.803039
where:
bonds (distance) C4'-P energy: -45.850
bonds (distance) P-C4' energy: -47.252
flat angles C4'-P-C4' energy: -44.388
flat angles P-C4'-P energy: -29.416
tors. eta vs tors. theta energy: -23.896
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: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -475.274963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.274963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.274963 (E_RNA)
where:
Base-Base interactions energy: -261.869
where: short stacking energy: -133.999
Base-Backbone interact. energy: -0.537
local terms energy: -212.869143
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -58.731
flat angles C4'-P-C4' energy: -50.948
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -27.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -418.505570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.505570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.505570 (E_RNA)
where:
Base-Base interactions energy: -229.190
where: short stacking energy: -125.402
Base-Backbone interact. energy: 0.453
local terms energy: -189.769344
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -49.643
flat angles C4'-P-C4' energy: -52.758
flat angles P-C4'-P energy: -19.348
tors. eta vs tors. theta energy: -13.139
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: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1088.416531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.416531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.416531 (E_RNA)
where:
Base-Base interactions energy: -758.018
where: short stacking energy: -329.139
Base-Backbone interact. energy: 1.251
local terms energy: -331.648764
where:
bonds (distance) C4'-P energy: -61.116
bonds (distance) P-C4' energy: -67.964
flat angles C4'-P-C4' energy: -68.285
flat angles P-C4'-P energy: -44.671
tors. eta vs tors. theta energy: -89.613
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1024.827515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.827515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.827515 (E_RNA)
where:
Base-Base interactions energy: -714.515
where: short stacking energy: -296.522
Base-Backbone interact. energy: -1.863
local terms energy: -308.449927
where:
bonds (distance) C4'-P energy: -56.199
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -66.509
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -77.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -964.791171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.791171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.791171 (E_RNA)
where:
Base-Base interactions energy: -675.576
where: short stacking energy: -283.237
Base-Backbone interact. energy: 1.364
local terms energy: -290.578807
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -57.022
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -74.687
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: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -869.225786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.225786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.225786 (E_RNA)
where:
Base-Base interactions energy: -572.281
where: short stacking energy: -260.495
Base-Backbone interact. energy: -0.495
local terms energy: -296.449668
where:
bonds (distance) C4'-P energy: -61.682
bonds (distance) P-C4' energy: -58.399
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -63.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -884.063392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.063392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.063392 (E_RNA)
where:
Base-Base interactions energy: -611.000
where: short stacking energy: -258.737
Base-Backbone interact. energy: 0.761
local terms energy: -273.823542
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -50.104
flat angles C4'-P-C4' energy: -66.437
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -68.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -837.775873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.775873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.775873 (E_RNA)
where:
Base-Base interactions energy: -594.960
where: short stacking energy: -247.760
Base-Backbone interact. energy: -2.759
local terms energy: -240.056079
where:
bonds (distance) C4'-P energy: -37.512
bonds (distance) P-C4' energy: -52.254
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -32.317
tors. eta vs tors. theta energy: -58.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -739.623497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.623497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.623497 (E_RNA)
where:
Base-Base interactions energy: -475.145
where: short stacking energy: -210.345
Base-Backbone interact. energy: 0.445
local terms energy: -264.922925
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -59.097
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -33.475
tors. eta vs tors. theta energy: -56.260
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: 9
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -607.807700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.807700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.807700 (E_RNA)
where:
Base-Base interactions energy: -387.263
where: short stacking energy: -172.308
Base-Backbone interact. energy: -0.547
local terms energy: -219.997407
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -32.054
flat angles C4'-P-C4' energy: -54.160
flat angles P-C4'-P energy: -42.640
tors. eta vs tors. theta energy: -43.190
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: 4
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -479.149510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.149510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.149510 (E_RNA)
where:
Base-Base interactions energy: -256.720
where: short stacking energy: -127.154
Base-Backbone interact. energy: -0.181
local terms energy: -222.248644
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -57.953
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -32.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -437.709666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.709666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.709666 (E_RNA)
where:
Base-Base interactions energy: -238.862
where: short stacking energy: -127.811
Base-Backbone interact. energy: 1.798
local terms energy: -200.645516
where:
bonds (distance) C4'-P energy: -40.392
bonds (distance) P-C4' energy: -67.632
flat angles C4'-P-C4' energy: -50.084
flat angles P-C4'-P energy: -33.501
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1086.735974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.735974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.735974 (E_RNA)
where:
Base-Base interactions energy: -771.512
where: short stacking energy: -333.890
Base-Backbone interact. energy: -0.783
local terms energy: -314.440167
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -68.525
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -86.839
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: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1007.786475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.786475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.786475 (E_RNA)
where:
Base-Base interactions energy: -712.639
where: short stacking energy: -292.034
Base-Backbone interact. energy: -0.588
local terms energy: -294.559482
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -63.395
flat angles C4'-P-C4' energy: -59.897
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -77.769
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: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1023.263089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.263089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.263089 (E_RNA)
where:
Base-Base interactions energy: -721.552
where: short stacking energy: -295.580
Base-Backbone interact. energy: -2.161
local terms energy: -299.550177
where:
bonds (distance) C4'-P energy: -60.674
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -73.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -953.666900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.666900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.666900 (E_RNA)
where:
Base-Base interactions energy: -669.766
where: short stacking energy: -279.947
Base-Backbone interact. energy: -0.094
local terms energy: -283.807529
where:
bonds (distance) C4'-P energy: -49.904
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -34.031
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: 10
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -855.866160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.866160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.866160 (E_RNA)
where:
Base-Base interactions energy: -568.045
where: short stacking energy: -265.172
Base-Backbone interact. energy: -0.596
local terms energy: -287.224872
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -57.232
flat angles C4'-P-C4' energy: -63.688
flat angles P-C4'-P energy: -43.901
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: 6, replica: 5
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -836.979736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.979736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.979736 (E_RNA)
where:
Base-Base interactions energy: -581.187
where: short stacking energy: -275.153
Base-Backbone interact. energy: -0.104
local terms energy: -255.688730
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -52.675
flat angles C4'-P-C4' energy: -56.512
flat angles P-C4'-P energy: -33.265
tors. eta vs tors. theta energy: -60.079
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: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -731.319163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.319163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.319163 (E_RNA)
where:
Base-Base interactions energy: -487.266
where: short stacking energy: -194.754
Base-Backbone interact. energy: -3.229
local terms energy: -240.823579
where:
bonds (distance) C4'-P energy: -51.907
bonds (distance) P-C4' energy: -55.848
flat angles C4'-P-C4' energy: -54.759
flat angles P-C4'-P energy: -33.667
tors. eta vs tors. theta energy: -44.643
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: 8, replica: 9
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -639.050611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.050611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.050611 (E_RNA)
where:
Base-Base interactions energy: -433.248
where: short stacking energy: -186.444
Base-Backbone interact. energy: -3.355
local terms energy: -202.447276
where:
bonds (distance) C4'-P energy: -39.040
bonds (distance) P-C4' energy: -41.368
flat angles C4'-P-C4' energy: -60.957
flat angles P-C4'-P energy: -25.783
tors. eta vs tors. theta energy: -35.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -522.411154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.411154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.411154 (E_RNA)
where:
Base-Base interactions energy: -310.333
where: short stacking energy: -162.850
Base-Backbone interact. energy: -0.166
local terms energy: -211.911929
where:
bonds (distance) C4'-P energy: -42.420
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -60.751
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -468.872372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.872372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.872372 (E_RNA)
where:
Base-Base interactions energy: -276.876
where: short stacking energy: -136.722
Base-Backbone interact. energy: 0.657
local terms energy: -192.653063
where:
bonds (distance) C4'-P energy: -47.314
bonds (distance) P-C4' energy: -60.864
flat angles C4'-P-C4' energy: -51.024
flat angles P-C4'-P energy: -24.448
tors. eta vs tors. theta energy: -9.002
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: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1084.920712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.920712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.920712 (E_RNA)
where:
Base-Base interactions energy: -767.416
where: short stacking energy: -330.563
Base-Backbone interact. energy: 0.028
local terms energy: -317.532807
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -69.639
flat angles P-C4'-P energy: -43.901
tors. eta vs tors. theta energy: -82.634
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: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1035.317771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.317771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.317771 (E_RNA)
where:
Base-Base interactions energy: -725.390
where: short stacking energy: -316.236
Base-Backbone interact. energy: -1.316
local terms energy: -308.611576
where:
bonds (distance) C4'-P energy: -59.805
bonds (distance) P-C4' energy: -54.045
flat angles C4'-P-C4' energy: -65.248
flat angles P-C4'-P energy: -42.619
tors. eta vs tors. theta energy: -86.895
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: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -996.116476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.116476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.116476 (E_RNA)
where:
Base-Base interactions energy: -698.948
where: short stacking energy: -286.105
Base-Backbone interact. energy: -1.582
local terms energy: -295.587067
where:
bonds (distance) C4'-P energy: -62.179
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -60.306
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: -74.707
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -943.689252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.689252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.689252 (E_RNA)
where:
Base-Base interactions energy: -649.247
where: short stacking energy: -283.203
Base-Backbone interact. energy: -0.166
local terms energy: -294.275976
where:
bonds (distance) C4'-P energy: -55.983
bonds (distance) P-C4' energy: -59.587
flat angles C4'-P-C4' energy: -72.191
flat angles P-C4'-P energy: -41.249
tors. eta vs tors. theta energy: -65.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -844.494279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.494279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.494279 (E_RNA)
where:
Base-Base interactions energy: -567.518
where: short stacking energy: -256.808
Base-Backbone interact. energy: 1.567
local terms energy: -278.542905
where:
bonds (distance) C4'-P energy: -57.533
bonds (distance) P-C4' energy: -60.603
flat angles C4'-P-C4' energy: -61.642
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -66.326
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: 68
Temperature: 1.150000
Total energy: -856.303649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.303649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.303649 (E_RNA)
where:
Base-Base interactions energy: -582.952
where: short stacking energy: -260.674
Base-Backbone interact. energy: -1.441
local terms energy: -271.911233
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -42.374
tors. eta vs tors. theta energy: -61.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -725.217502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.217502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.217502 (E_RNA)
where:
Base-Base interactions energy: -475.677
where: short stacking energy: -196.147
Base-Backbone interact. energy: -0.358
local terms energy: -249.182774
where:
bonds (distance) C4'-P energy: -47.427
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -58.484
flat angles P-C4'-P energy: -32.846
tors. eta vs tors. theta energy: -48.179
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: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -674.113752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.113752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.113752 (E_RNA)
where:
Base-Base interactions energy: -447.109
where: short stacking energy: -195.643
Base-Backbone interact. energy: -1.811
local terms energy: -225.193024
where:
bonds (distance) C4'-P energy: -31.586
bonds (distance) P-C4' energy: -54.883
flat angles C4'-P-C4' energy: -54.822
flat angles P-C4'-P energy: -43.959
tors. eta vs tors. theta energy: -39.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -447.652504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.652504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.652504 (E_RNA)
where:
Base-Base interactions energy: -263.823
where: short stacking energy: -141.834
Base-Backbone interact. energy: -0.419
local terms energy: -183.410305
where:
bonds (distance) C4'-P energy: -40.297
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -43.873
flat angles P-C4'-P energy: -21.374
tors. eta vs tors. theta energy: -20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -461.053810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.053810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.053810 (E_RNA)
where:
Base-Base interactions energy: -270.482
where: short stacking energy: -126.474
Base-Backbone interact. energy: -1.843
local terms energy: -188.729067
where:
bonds (distance) C4'-P energy: -43.945
bonds (distance) P-C4' energy: -43.515
flat angles C4'-P-C4' energy: -60.824
flat angles P-C4'-P energy: -25.910
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1092.138053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.138053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.138053 (E_RNA)
where:
Base-Base interactions energy: -754.464
where: short stacking energy: -325.482
Base-Backbone interact. energy: -1.975
local terms energy: -335.698675
where:
bonds (distance) C4'-P energy: -61.795
bonds (distance) P-C4' energy: -64.594
flat angles C4'-P-C4' energy: -72.618
flat angles P-C4'-P energy: -43.069
tors. eta vs tors. theta energy: -93.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1053.405517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.405517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.405517 (E_RNA)
where:
Base-Base interactions energy: -748.445
where: short stacking energy: -325.459
Base-Backbone interact. energy: -0.164
local terms energy: -304.796426
where:
bonds (distance) C4'-P energy: -50.640
bonds (distance) P-C4' energy: -59.244
flat angles C4'-P-C4' energy: -65.651
flat angles P-C4'-P energy: -49.141
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: 69
Temperature: 1.000000
Total energy: -1005.258653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.258653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.258653 (E_RNA)
where:
Base-Base interactions energy: -706.684
where: short stacking energy: -309.734
Base-Backbone interact. energy: -1.258
local terms energy: -297.316101
where:
bonds (distance) C4'-P energy: -48.909
bonds (distance) P-C4' energy: -65.265
flat angles C4'-P-C4' energy: -65.944
flat angles P-C4'-P energy: -38.460
tors. eta vs tors. theta energy: -78.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -950.354898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.354898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.354898 (E_RNA)
where:
Base-Base interactions energy: -678.466
where: short stacking energy: -292.128
Base-Backbone interact. energy: -0.218
local terms energy: -271.671362
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -58.815
flat angles C4'-P-C4' energy: -60.798
flat angles P-C4'-P energy: -27.794
tors. eta vs tors. theta energy: -73.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -849.530914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.530914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.530914 (E_RNA)
where:
Base-Base interactions energy: -592.679
where: short stacking energy: -256.709
Base-Backbone interact. energy: -0.779
local terms energy: -256.072727
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -62.804
flat angles C4'-P-C4' energy: -52.462
flat angles P-C4'-P energy: -33.859
tors. eta vs tors. theta energy: -64.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -842.880536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.880536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.880536 (E_RNA)
where:
Base-Base interactions energy: -584.371
where: short stacking energy: -248.057
Base-Backbone interact. energy: 0.062
local terms energy: -258.570889
where:
bonds (distance) C4'-P energy: -49.428
bonds (distance) P-C4' energy: -54.922
flat angles C4'-P-C4' energy: -53.782
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -61.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -719.765277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.765277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.765277 (E_RNA)
where:
Base-Base interactions energy: -460.551
where: short stacking energy: -194.593
Base-Backbone interact. energy: 3.928
local terms energy: -263.141754
where:
bonds (distance) C4'-P energy: -58.678
bonds (distance) P-C4' energy: -57.816
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -594.783451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.783451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.783451 (E_RNA)
where:
Base-Base interactions energy: -392.916
where: short stacking energy: -171.436
Base-Backbone interact. energy: 3.059
local terms energy: -204.925687
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -52.866
flat angles C4'-P-C4' energy: -52.353
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -34.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -439.987768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.987768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.987768 (E_RNA)
where:
Base-Base interactions energy: -254.471
where: short stacking energy: -139.237
Base-Backbone interact. energy: 1.906
local terms energy: -187.423296
where:
bonds (distance) C4'-P energy: -46.338
bonds (distance) P-C4' energy: -47.318
flat angles C4'-P-C4' energy: -43.458
flat angles P-C4'-P energy: -35.319
tors. eta vs tors. theta energy: -14.990
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: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -377.600561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.600561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.600561 (E_RNA)
where:
Base-Base interactions energy: -202.210
where: short stacking energy: -124.798
Base-Backbone interact. energy: 2.228
local terms energy: -177.618273
where:
bonds (distance) C4'-P energy: -41.644
bonds (distance) P-C4' energy: -49.422
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -18.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1090.325830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.325830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.325830 (E_RNA)
where:
Base-Base interactions energy: -767.009
where: short stacking energy: -321.533
Base-Backbone interact. energy: 1.573
local terms energy: -324.889523
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -64.699
flat angles C4'-P-C4' energy: -66.056
flat angles P-C4'-P energy: -45.164
tors. eta vs tors. theta energy: -87.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1054.482249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.482249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.482249 (E_RNA)
where:
Base-Base interactions energy: -730.283
where: short stacking energy: -310.420
Base-Backbone interact. energy: -1.180
local terms energy: -323.018994
where:
bonds (distance) C4'-P energy: -57.492
bonds (distance) P-C4' energy: -65.421
flat angles C4'-P-C4' energy: -65.250
flat angles P-C4'-P energy: -46.428
tors. eta vs tors. theta energy: -88.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1014.238357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.238357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.238357 (E_RNA)
where:
Base-Base interactions energy: -719.674
where: short stacking energy: -301.842
Base-Backbone interact. energy: -1.075
local terms energy: -293.489503
where:
bonds (distance) C4'-P energy: -47.185
bonds (distance) P-C4' energy: -61.617
flat angles C4'-P-C4' energy: -68.814
flat angles P-C4'-P energy: -36.938
tors. eta vs tors. theta energy: -78.935
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -988.057870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.057870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.057870 (E_RNA)
where:
Base-Base interactions energy: -673.731
where: short stacking energy: -287.037
Base-Backbone interact. energy: -1.017
local terms energy: -313.309884
where:
bonds (distance) C4'-P energy: -71.972
bonds (distance) P-C4' energy: -58.883
flat angles C4'-P-C4' energy: -65.292
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -80.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -892.720142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.720142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.720142 (E_RNA)
where:
Base-Base interactions energy: -621.200
where: short stacking energy: -290.213
Base-Backbone interact. energy: -0.553
local terms energy: -270.967347
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -41.876
flat angles C4'-P-C4' energy: -60.115
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: -70.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -853.494323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.494323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.494323 (E_RNA)
where:
Base-Base interactions energy: -587.085
where: short stacking energy: -247.325
Base-Backbone interact. energy: -1.613
local terms energy: -264.796516
where:
bonds (distance) C4'-P energy: -49.484
bonds (distance) P-C4' energy: -65.336
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -68.424
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: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -755.449102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.449102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.449102 (E_RNA)
where:
Base-Base interactions energy: -490.801
where: short stacking energy: -227.414
Base-Backbone interact. energy: -0.433
local terms energy: -264.215308
where:
bonds (distance) C4'-P energy: -53.904
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -59.018
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -60.886
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: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -644.018746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.018746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.018746 (E_RNA)
where:
Base-Base interactions energy: -418.174
where: short stacking energy: -184.187
Base-Backbone interact. energy: -0.420
local terms energy: -225.424978
where:
bonds (distance) C4'-P energy: -47.009
bonds (distance) P-C4' energy: -62.860
flat angles C4'-P-C4' energy: -52.074
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -38.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -386.384026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.384026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.384026 (E_RNA)
where:
Base-Base interactions energy: -207.958
where: short stacking energy: -131.429
Base-Backbone interact. energy: 1.592
local terms energy: -180.017535
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -43.931
flat angles C4'-P-C4' energy: -35.511
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -13.785
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: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -406.694645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.694645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.694645 (E_RNA)
where:
Base-Base interactions energy: -225.447
where: short stacking energy: -132.746
Base-Backbone interact. energy: -1.392
local terms energy: -179.855691
where:
bonds (distance) C4'-P energy: -43.180
bonds (distance) P-C4' energy: -50.861
flat angles C4'-P-C4' energy: -37.764
flat angles P-C4'-P energy: -31.994
tors. eta vs tors. theta energy: -16.057
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: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1093.237063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.237063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.237063 (E_RNA)
where:
Base-Base interactions energy: -770.477
where: short stacking energy: -322.842
Base-Backbone interact. energy: -0.187
local terms energy: -322.573196
where:
bonds (distance) C4'-P energy: -59.585
bonds (distance) P-C4' energy: -61.801
flat angles C4'-P-C4' energy: -63.685
flat angles P-C4'-P energy: -49.831
tors. eta vs tors. theta energy: -87.671
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: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1062.372297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.372297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.372297 (E_RNA)
where:
Base-Base interactions energy: -738.383
where: short stacking energy: -305.604
Base-Backbone interact. energy: -0.338
local terms energy: -323.650892
where:
bonds (distance) C4'-P energy: -61.635
bonds (distance) P-C4' energy: -59.994
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -52.874
tors. eta vs tors. theta energy: -87.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -966.226059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.226059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.226059 (E_RNA)
where:
Base-Base interactions energy: -670.926
where: short stacking energy: -270.067
Base-Backbone interact. energy: -1.235
local terms energy: -294.064776
where:
bonds (distance) C4'-P energy: -58.407
bonds (distance) P-C4' energy: -60.550
flat angles C4'-P-C4' energy: -58.248
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -70.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -997.151934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.151934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.151934 (E_RNA)
where:
Base-Base interactions energy: -683.645
where: short stacking energy: -293.940
Base-Backbone interact. energy: -2.065
local terms energy: -311.442181
where:
bonds (distance) C4'-P energy: -56.468
bonds (distance) P-C4' energy: -61.651
flat angles C4'-P-C4' energy: -72.821
flat angles P-C4'-P energy: -44.071
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: 5, replica: 10
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -886.539731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.539731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.539731 (E_RNA)
where:
Base-Base interactions energy: -578.495
where: short stacking energy: -274.642
Base-Backbone interact. energy: -1.605
local terms energy: -306.440169
where:
bonds (distance) C4'-P energy: -62.148
bonds (distance) P-C4' energy: -56.088
flat angles C4'-P-C4' energy: -68.683
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -75.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -852.296854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.296854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.296854 (E_RNA)
where:
Base-Base interactions energy: -597.130
where: short stacking energy: -254.769
Base-Backbone interact. energy: -2.887
local terms energy: -252.280155
where:
bonds (distance) C4'-P energy: -48.479
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -34.024
tors. eta vs tors. theta energy: -59.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -741.252224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.252224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.252224 (E_RNA)
where:
Base-Base interactions energy: -497.566
where: short stacking energy: -227.406
Base-Backbone interact. energy: -1.149
local terms energy: -242.537103
where:
bonds (distance) C4'-P energy: -41.050
bonds (distance) P-C4' energy: -52.323
flat angles C4'-P-C4' energy: -56.107
flat angles P-C4'-P energy: -37.569
tors. eta vs tors. theta energy: -55.488
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: 71
Temperature: 1.250000
Total energy: -634.810580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.810580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.810580 (E_RNA)
where:
Base-Base interactions energy: -410.619
where: short stacking energy: -181.116
Base-Backbone interact. energy: -2.372
local terms energy: -221.819641
where:
bonds (distance) C4'-P energy: -60.796
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -54.157
flat angles P-C4'-P energy: -34.981
tors. eta vs tors. theta energy: -26.727
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: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -425.154930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.154930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.154930 (E_RNA)
where:
Base-Base interactions energy: -242.314
where: short stacking energy: -125.868
Base-Backbone interact. energy: -1.141
local terms energy: -181.699719
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -43.204
flat angles C4'-P-C4' energy: -48.215
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -8.841
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: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -411.000877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.000877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.000877 (E_RNA)
where:
Base-Base interactions energy: -250.372
where: short stacking energy: -123.877
Base-Backbone interact. energy: -1.062
local terms energy: -159.566128
where:
bonds (distance) C4'-P energy: -46.364
bonds (distance) P-C4' energy: -45.034
flat angles C4'-P-C4' energy: -34.440
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1085.722980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.722980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.722980 (E_RNA)
where:
Base-Base interactions energy: -776.930
where: short stacking energy: -326.074
Base-Backbone interact. energy: -1.268
local terms energy: -307.525454
where:
bonds (distance) C4'-P energy: -62.266
bonds (distance) P-C4' energy: -49.758
flat angles C4'-P-C4' energy: -61.808
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -90.331
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: 72
Temperature: 0.950000
Total energy: -1051.534568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.534568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.534568 (E_RNA)
where:
Base-Base interactions energy: -744.086
where: short stacking energy: -323.253
Base-Backbone interact. energy: 0.607
local terms energy: -308.054946
where:
bonds (distance) C4'-P energy: -53.708
bonds (distance) P-C4' energy: -50.575
flat angles C4'-P-C4' energy: -66.817
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -94.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -971.471920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.471920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.471920 (E_RNA)
where:
Base-Base interactions energy: -668.556
where: short stacking energy: -294.783
Base-Backbone interact. energy: 1.238
local terms energy: -304.153727
where:
bonds (distance) C4'-P energy: -55.036
bonds (distance) P-C4' energy: -66.736
flat angles C4'-P-C4' energy: -63.556
flat angles P-C4'-P energy: -39.836
tors. eta vs tors. theta energy: -78.990
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -965.575801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.575801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.575801 (E_RNA)
where:
Base-Base interactions energy: -654.950
where: short stacking energy: -283.961
Base-Backbone interact. energy: -0.933
local terms energy: -309.692364
where:
bonds (distance) C4'-P energy: -59.288
bonds (distance) P-C4' energy: -65.776
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -40.805
tors. eta vs tors. theta energy: -76.183
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: 10
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -892.924024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.924024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.924024 (E_RNA)
where:
Base-Base interactions energy: -598.840
where: short stacking energy: -267.588
Base-Backbone interact. energy: -1.164
local terms energy: -292.920909
where:
bonds (distance) C4'-P energy: -56.303
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -69.496
flat angles P-C4'-P energy: -42.359
tors. eta vs tors. theta energy: -73.952
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: 72
Temperature: 1.150000
Total energy: -823.315934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.315934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.315934 (E_RNA)
where:
Base-Base interactions energy: -571.858
where: short stacking energy: -243.964
Base-Backbone interact. energy: -1.956
local terms energy: -249.502074
where:
bonds (distance) C4'-P energy: -47.211
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -51.878
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -63.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -725.759212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.759212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.759212 (E_RNA)
where:
Base-Base interactions energy: -479.190
where: short stacking energy: -205.551
Base-Backbone interact. energy: -1.515
local terms energy: -245.054402
where:
bonds (distance) C4'-P energy: -57.518
bonds (distance) P-C4' energy: -53.788
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -44.765
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: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -645.241617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.241617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.241617 (E_RNA)
where:
Base-Base interactions energy: -409.821
where: short stacking energy: -186.961
Base-Backbone interact. energy: -1.066
local terms energy: -234.354640
where:
bonds (distance) C4'-P energy: -52.787
bonds (distance) P-C4' energy: -60.118
flat angles C4'-P-C4' energy: -47.987
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: -35.054
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: 72
Temperature: 1.300000
Total energy: -426.743204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.743204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.743204 (E_RNA)
where:
Base-Base interactions energy: -231.331
where: short stacking energy: -142.365
Base-Backbone interact. energy: -1.051
local terms energy: -194.360350
where:
bonds (distance) C4'-P energy: -58.838
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -44.583
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -16.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -398.981176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.981176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.981176 (E_RNA)
where:
Base-Base interactions energy: -206.089
where: short stacking energy: -112.597
Base-Backbone interact. energy: -0.438
local terms energy: -192.454148
where:
bonds (distance) C4'-P energy: -45.019
bonds (distance) P-C4' energy: -49.694
flat angles C4'-P-C4' energy: -56.291
flat angles P-C4'-P energy: -29.757
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1098.015208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.015208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.015208 (E_RNA)
where:
Base-Base interactions energy: -788.491
where: short stacking energy: -320.511
Base-Backbone interact. energy: -0.768
local terms energy: -308.755907
where:
bonds (distance) C4'-P energy: -58.679
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -71.704
flat angles P-C4'-P energy: -36.498
tors. eta vs tors. theta energy: -89.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1023.994347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.994347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.994347 (E_RNA)
where:
Base-Base interactions energy: -724.321
where: short stacking energy: -296.430
Base-Backbone interact. energy: -2.131
local terms energy: -297.542279
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -60.550
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -84.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -951.651006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.651006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.651006 (E_RNA)
where:
Base-Base interactions energy: -652.659
where: short stacking energy: -270.192
Base-Backbone interact. energy: -2.077
local terms energy: -296.914767
where:
bonds (distance) C4'-P energy: -53.976
bonds (distance) P-C4' energy: -61.891
flat angles C4'-P-C4' energy: -74.580
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -69.012
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: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -966.015291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.015291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.015291 (E_RNA)
where:
Base-Base interactions energy: -666.507
where: short stacking energy: -291.337
Base-Backbone interact. energy: -2.678
local terms energy: -296.829830
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -64.981
flat angles C4'-P-C4' energy: -61.278
flat angles P-C4'-P energy: -50.398
tors. eta vs tors. theta energy: -75.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -883.967501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.967501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.967501 (E_RNA)
where:
Base-Base interactions energy: -598.832
where: short stacking energy: -273.000
Base-Backbone interact. energy: -0.480
local terms energy: -284.655619
where:
bonds (distance) C4'-P energy: -54.454
bonds (distance) P-C4' energy: -56.574
flat angles C4'-P-C4' energy: -57.678
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -77.880
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: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -857.688138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.688138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.688138 (E_RNA)
where:
Base-Base interactions energy: -591.385
where: short stacking energy: -252.946
Base-Backbone interact. energy: 0.915
local terms energy: -267.218603
where:
bonds (distance) C4'-P energy: -62.761
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -53.672
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -68.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -726.311938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.311938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.311938 (E_RNA)
where:
Base-Base interactions energy: -484.034
where: short stacking energy: -227.154
Base-Backbone interact. energy: -1.150
local terms energy: -241.128322
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -51.615
flat angles C4'-P-C4' energy: -55.866
flat angles P-C4'-P energy: -34.134
tors. eta vs tors. theta energy: -48.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -680.533598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.533598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.533598 (E_RNA)
where:
Base-Base interactions energy: -443.302
where: short stacking energy: -200.443
Base-Backbone interact. energy: -0.472
local terms energy: -236.759422
where:
bonds (distance) C4'-P energy: -53.100
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -46.500
flat angles P-C4'-P energy: -44.304
tors. eta vs tors. theta energy: -42.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -438.073580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.073580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.073580 (E_RNA)
where:
Base-Base interactions energy: -244.780
where: short stacking energy: -131.078
Base-Backbone interact. energy: -0.984
local terms energy: -192.309419
where:
bonds (distance) C4'-P energy: -44.773
bonds (distance) P-C4' energy: -47.838
flat angles C4'-P-C4' energy: -52.387
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -15.148
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: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -393.180347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.180347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.180347 (E_RNA)
where:
Base-Base interactions energy: -205.893
where: short stacking energy: -115.893
Base-Backbone interact. energy: -0.855
local terms energy: -186.432379
where:
bonds (distance) C4'-P energy: -48.421
bonds (distance) P-C4' energy: -50.604
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -20.396
tors. eta vs tors. theta energy: -7.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1099.187529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.187529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.187529 (E_RNA)
where:
Base-Base interactions energy: -785.521
where: short stacking energy: -325.201
Base-Backbone interact. energy: -0.139
local terms energy: -313.526988
where:
bonds (distance) C4'-P energy: -58.993
bonds (distance) P-C4' energy: -62.904
flat angles C4'-P-C4' energy: -62.483
flat angles P-C4'-P energy: -42.603
tors. eta vs tors. theta energy: -86.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1041.291794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.291794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.291794 (E_RNA)
where:
Base-Base interactions energy: -721.862
where: short stacking energy: -314.799
Base-Backbone interact. energy: -1.808
local terms energy: -317.621977
where:
bonds (distance) C4'-P energy: -60.135
bonds (distance) P-C4' energy: -59.482
flat angles C4'-P-C4' energy: -62.016
flat angles P-C4'-P energy: -44.751
tors. eta vs tors. theta energy: -91.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -991.928573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.928573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.928573 (E_RNA)
where:
Base-Base interactions energy: -702.385
where: short stacking energy: -307.430
Base-Backbone interact. energy: -0.819
local terms energy: -288.725476
where:
bonds (distance) C4'-P energy: -57.405
bonds (distance) P-C4' energy: -53.824
flat angles C4'-P-C4' energy: -62.636
flat angles P-C4'-P energy: -39.596
tors. eta vs tors. theta energy: -75.265
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: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -965.452259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.452259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.452259 (E_RNA)
where:
Base-Base interactions energy: -675.998
where: short stacking energy: -281.058
Base-Backbone interact. energy: -0.084
local terms energy: -289.370751
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -60.628
flat angles C4'-P-C4' energy: -71.600
flat angles P-C4'-P energy: -38.529
tors. eta vs tors. theta energy: -71.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -893.674044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.674044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.674044 (E_RNA)
where:
Base-Base interactions energy: -603.208
where: short stacking energy: -282.754
Base-Backbone interact. energy: -0.487
local terms energy: -289.979221
where:
bonds (distance) C4'-P energy: -61.733
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -63.244
flat angles P-C4'-P energy: -36.025
tors. eta vs tors. theta energy: -79.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -853.237367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.237367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.237367 (E_RNA)
where:
Base-Base interactions energy: -601.658
where: short stacking energy: -251.947
Base-Backbone interact. energy: -0.091
local terms energy: -251.488085
where:
bonds (distance) C4'-P energy: -47.828
bonds (distance) P-C4' energy: -42.088
flat angles C4'-P-C4' energy: -67.222
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -700.226663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.226663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.226663 (E_RNA)
where:
Base-Base interactions energy: -456.457
where: short stacking energy: -201.353
Base-Backbone interact. energy: -0.940
local terms energy: -242.830074
where:
bonds (distance) C4'-P energy: -50.993
bonds (distance) P-C4' energy: -56.299
flat angles C4'-P-C4' energy: -56.651
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -48.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -708.007371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.007371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.007371 (E_RNA)
where:
Base-Base interactions energy: -482.942
where: short stacking energy: -228.495
Base-Backbone interact. energy: -0.658
local terms energy: -224.407208
where:
bonds (distance) C4'-P energy: -43.560
bonds (distance) P-C4' energy: -34.858
flat angles C4'-P-C4' energy: -62.461
flat angles P-C4'-P energy: -39.851
tors. eta vs tors. theta energy: -43.678
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: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -396.539679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.539679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.539679 (E_RNA)
where:
Base-Base interactions energy: -200.782
where: short stacking energy: -108.214
Base-Backbone interact. energy: -0.449
local terms energy: -195.308434
where:
bonds (distance) C4'-P energy: -59.325
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -48.828
flat angles P-C4'-P energy: -17.286
tors. eta vs tors. theta energy: -16.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -397.868940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.868940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.868940 (E_RNA)
where:
Base-Base interactions energy: -237.914
where: short stacking energy: -99.143
Base-Backbone interact. energy: -1.143
local terms energy: -158.812008
where:
bonds (distance) C4'-P energy: -36.530
bonds (distance) P-C4' energy: -55.839
flat angles C4'-P-C4' energy: -41.197
flat angles P-C4'-P energy: -30.562
tors. eta vs tors. theta energy: 5.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1114.195152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.195152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.195152 (E_RNA)
where:
Base-Base interactions energy: -781.974
where: short stacking energy: -321.411
Base-Backbone interact. energy: -1.846
local terms energy: -330.374865
where:
bonds (distance) C4'-P energy: -63.743
bonds (distance) P-C4' energy: -63.736
flat angles C4'-P-C4' energy: -70.999
flat angles P-C4'-P energy: -43.590
tors. eta vs tors. theta energy: -88.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1025.607199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.607199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.607199 (E_RNA)
where:
Base-Base interactions energy: -718.207
where: short stacking energy: -297.949
Base-Backbone interact. energy: 0.107
local terms energy: -307.506879
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -58.422
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -46.634
tors. eta vs tors. theta energy: -83.426
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: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -975.609065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.609065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.609065 (E_RNA)
where:
Base-Base interactions energy: -670.082
where: short stacking energy: -298.301
Base-Backbone interact. energy: -3.035
local terms energy: -302.492483
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -64.575
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -40.408
tors. eta vs tors. theta energy: -80.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -929.598277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.598277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.598277 (E_RNA)
where:
Base-Base interactions energy: -633.801
where: short stacking energy: -265.732
Base-Backbone interact. energy: -0.155
local terms energy: -295.641470
where:
bonds (distance) C4'-P energy: -56.209
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -59.377
flat angles P-C4'-P energy: -47.459
tors. eta vs tors. theta energy: -69.632
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: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -880.800611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.800611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.800611 (E_RNA)
where:
Base-Base interactions energy: -596.324
where: short stacking energy: -265.826
Base-Backbone interact. energy: 1.461
local terms energy: -285.937579
where:
bonds (distance) C4'-P energy: -61.819
bonds (distance) P-C4' energy: -57.733
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -68.615
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -885.291986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.291986 (E_RNA)
where:
Base-Base interactions energy: -614.932
where: short stacking energy: -284.345
Base-Backbone interact. energy: -0.126
local terms energy: -270.233947
where:
bonds (distance) C4'-P energy: -53.843
bonds (distance) P-C4' energy: -59.801
flat angles C4'-P-C4' energy: -60.783
flat angles P-C4'-P energy: -27.152
tors. eta vs tors. theta energy: -68.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -730.514398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.514398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.514398 (E_RNA)
where:
Base-Base interactions energy: -489.344
where: short stacking energy: -214.452
Base-Backbone interact. energy: -0.779
local terms energy: -240.391121
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -62.185
flat angles C4'-P-C4' energy: -49.325
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -38.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -671.581526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.581526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.581526 (E_RNA)
where:
Base-Base interactions energy: -437.338
where: short stacking energy: -195.712
Base-Backbone interact. energy: -1.390
local terms energy: -232.853099
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -53.931
flat angles C4'-P-C4' energy: -54.179
flat angles P-C4'-P energy: -27.235
tors. eta vs tors. theta energy: -46.577
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: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -372.690623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.690623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.690623 (E_RNA)
where:
Base-Base interactions energy: -191.427
where: short stacking energy: -98.617
Base-Backbone interact. energy: 5.567
local terms energy: -186.830838
where:
bonds (distance) C4'-P energy: -41.988
bonds (distance) P-C4' energy: -64.586
flat angles C4'-P-C4' energy: -46.355
flat angles P-C4'-P energy: -32.726
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -403.715210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.715210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.715210 (E_RNA)
where:
Base-Base interactions energy: -219.206
where: short stacking energy: -115.928
Base-Backbone interact. energy: -1.100
local terms energy: -183.409186
where:
bonds (distance) C4'-P energy: -40.171
bonds (distance) P-C4' energy: -47.490
flat angles C4'-P-C4' energy: -44.716
flat angles P-C4'-P energy: -39.373
tors. eta vs tors. theta energy: -11.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1109.981416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.981416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.981416 (E_RNA)
where:
Base-Base interactions energy: -773.846
where: short stacking energy: -329.732
Base-Backbone interact. energy: -0.093
local terms energy: -336.042814
where:
bonds (distance) C4'-P energy: -69.640
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -44.652
tors. eta vs tors. theta energy: -95.802
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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1015.698318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.698318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.698318 (E_RNA)
where:
Base-Base interactions energy: -704.259
where: short stacking energy: -289.800
Base-Backbone interact. energy: -1.982
local terms energy: -309.457669
where:
bonds (distance) C4'-P energy: -64.371
bonds (distance) P-C4' energy: -52.525
flat angles C4'-P-C4' energy: -62.272
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -85.888
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: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -984.804501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.804501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.804501 (E_RNA)
where:
Base-Base interactions energy: -689.483
where: short stacking energy: -304.069
Base-Backbone interact. energy: -1.356
local terms energy: -293.964900
where:
bonds (distance) C4'-P energy: -53.927
bonds (distance) P-C4' energy: -50.737
flat angles C4'-P-C4' energy: -67.576
flat angles P-C4'-P energy: -47.489
tors. eta vs tors. theta energy: -74.237
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: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -927.886311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.886311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.886311 (E_RNA)
where:
Base-Base interactions energy: -643.122
where: short stacking energy: -273.085
Base-Backbone interact. energy: 1.285
local terms energy: -286.049256
where:
bonds (distance) C4'-P energy: -52.450
bonds (distance) P-C4' energy: -62.349
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -35.647
tors. eta vs tors. theta energy: -74.073
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: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -892.976260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.976260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.976260 (E_RNA)
where:
Base-Base interactions energy: -596.232
where: short stacking energy: -292.257
Base-Backbone interact. energy: -0.279
local terms energy: -296.464729
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -57.648
flat angles C4'-P-C4' energy: -60.654
flat angles P-C4'-P energy: -48.571
tors. eta vs tors. theta energy: -76.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -878.732626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.732626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.732626 (E_RNA)
where:
Base-Base interactions energy: -611.500
where: short stacking energy: -255.315
Base-Backbone interact. energy: -1.244
local terms energy: -265.988367
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -50.078
flat angles C4'-P-C4' energy: -63.804
flat angles P-C4'-P energy: -44.690
tors. eta vs tors. theta energy: -64.986
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: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -722.291276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.291276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.291276 (E_RNA)
where:
Base-Base interactions energy: -480.126
where: short stacking energy: -210.389
Base-Backbone interact. energy: -1.752
local terms energy: -240.413081
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -51.960
flat angles C4'-P-C4' energy: -55.391
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -42.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -618.559077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.559077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.559077 (E_RNA)
where:
Base-Base interactions energy: -388.310
where: short stacking energy: -185.523
Base-Backbone interact. energy: -2.242
local terms energy: -228.006688
where:
bonds (distance) C4'-P energy: -52.255
bonds (distance) P-C4' energy: -60.010
flat angles C4'-P-C4' energy: -43.786
flat angles P-C4'-P energy: -29.696
tors. eta vs tors. theta energy: -42.259
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: 76
Temperature: 1.300000
Total energy: -453.973212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.973212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.973212 (E_RNA)
where:
Base-Base interactions energy: -256.753
where: short stacking energy: -143.746
Base-Backbone interact. energy: 0.931
local terms energy: -198.151894
where:
bonds (distance) C4'-P energy: -46.163
bonds (distance) P-C4' energy: -46.135
flat angles C4'-P-C4' energy: -55.405
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -363.826217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.826217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.826217 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -84.958
Base-Backbone interact. energy: 0.058
local terms energy: -180.783316
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -49.385
flat angles C4'-P-C4' energy: -50.749
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1106.052634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.052634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.052634 (E_RNA)
where:
Base-Base interactions energy: -778.837
where: short stacking energy: -316.078
Base-Backbone interact. energy: -1.381
local terms energy: -325.834797
where:
bonds (distance) C4'-P energy: -64.218
bonds (distance) P-C4' energy: -66.392
flat angles C4'-P-C4' energy: -66.599
flat angles P-C4'-P energy: -39.947
tors. eta vs tors. theta energy: -88.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1041.778368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.778368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.778368 (E_RNA)
where:
Base-Base interactions energy: -717.746
where: short stacking energy: -303.437
Base-Backbone interact. energy: -0.794
local terms energy: -323.239107
where:
bonds (distance) C4'-P energy: -63.619
bonds (distance) P-C4' energy: -56.883
flat angles C4'-P-C4' energy: -70.354
flat angles P-C4'-P energy: -44.222
tors. eta vs tors. theta energy: -88.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -984.460523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.460523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.460523 (E_RNA)
where:
Base-Base interactions energy: -691.788
where: short stacking energy: -285.821
Base-Backbone interact. energy: -1.128
local terms energy: -291.545059
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -52.777
flat angles C4'-P-C4' energy: -69.453
flat angles P-C4'-P energy: -42.425
tors. eta vs tors. theta energy: -76.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -924.388053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.388053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.388053 (E_RNA)
where:
Base-Base interactions energy: -628.078
where: short stacking energy: -261.235
Base-Backbone interact. energy: -1.648
local terms energy: -294.662804
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -62.304
flat angles P-C4'-P energy: -43.810
tors. eta vs tors. theta energy: -68.781
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -879.437445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.437445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.437445 (E_RNA)
where:
Base-Base interactions energy: -586.342
where: short stacking energy: -259.715
Base-Backbone interact. energy: -1.539
local terms energy: -291.556736
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -60.601
flat angles C4'-P-C4' energy: -63.839
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -67.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -863.973170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.973170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.973170 (E_RNA)
where:
Base-Base interactions energy: -581.925
where: short stacking energy: -241.128
Base-Backbone interact. energy: -1.265
local terms energy: -280.783310
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -65.172
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -39.684
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -741.269366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.269366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.269366 (E_RNA)
where:
Base-Base interactions energy: -494.679
where: short stacking energy: -225.595
Base-Backbone interact. energy: 0.747
local terms energy: -247.337567
where:
bonds (distance) C4'-P energy: -56.565
bonds (distance) P-C4' energy: -45.099
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -39.377
tors. eta vs tors. theta energy: -55.077
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: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -645.057226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.057226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.057226 (E_RNA)
where:
Base-Base interactions energy: -407.077
where: short stacking energy: -203.775
Base-Backbone interact. energy: -1.390
local terms energy: -236.590641
where:
bonds (distance) C4'-P energy: -47.179
bonds (distance) P-C4' energy: -57.513
flat angles C4'-P-C4' energy: -57.426
flat angles P-C4'-P energy: -35.158
tors. eta vs tors. theta energy: -39.316
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: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -443.126289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.126289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.126289 (E_RNA)
where:
Base-Base interactions energy: -223.902
where: short stacking energy: -131.953
Base-Backbone interact. energy: -1.057
local terms energy: -218.166875
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -56.849
flat angles C4'-P-C4' energy: -55.652
flat angles P-C4'-P energy: -37.920
tors. eta vs tors. theta energy: -19.485
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: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -394.428636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.428636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.428636 (E_RNA)
where:
Base-Base interactions energy: -211.502
where: short stacking energy: -129.195
Base-Backbone interact. energy: -1.010
local terms energy: -181.915871
where:
bonds (distance) C4'-P energy: -51.534
bonds (distance) P-C4' energy: -41.635
flat angles C4'-P-C4' energy: -39.437
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1099.498864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.498864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.498864 (E_RNA)
where:
Base-Base interactions energy: -775.601
where: short stacking energy: -327.504
Base-Backbone interact. energy: -1.050
local terms energy: -322.848132
where:
bonds (distance) C4'-P energy: -62.707
bonds (distance) P-C4' energy: -63.792
flat angles C4'-P-C4' energy: -67.104
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -91.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1059.947681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.947681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.947681 (E_RNA)
where:
Base-Base interactions energy: -739.572
where: short stacking energy: -315.974
Base-Backbone interact. energy: 0.744
local terms energy: -321.119326
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -57.943
flat angles C4'-P-C4' energy: -70.290
flat angles P-C4'-P energy: -44.336
tors. eta vs tors. theta energy: -89.765
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: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -997.289674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.289674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.289674 (E_RNA)
where:
Base-Base interactions energy: -685.376
where: short stacking energy: -318.168
Base-Backbone interact. energy: 1.764
local terms energy: -313.678249
where:
bonds (distance) C4'-P energy: -57.180
bonds (distance) P-C4' energy: -61.076
flat angles C4'-P-C4' energy: -70.133
flat angles P-C4'-P energy: -35.466
tors. eta vs tors. theta energy: -89.823
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: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -946.130033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.130033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.130033 (E_RNA)
where:
Base-Base interactions energy: -657.016
where: short stacking energy: -282.189
Base-Backbone interact. energy: 2.542
local terms energy: -291.656162
where:
bonds (distance) C4'-P energy: -56.094
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -67.522
flat angles P-C4'-P energy: -32.586
tors. eta vs tors. theta energy: -83.094
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -873.312659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.312659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.312659 (E_RNA)
where:
Base-Base interactions energy: -608.432
where: short stacking energy: -288.082
Base-Backbone interact. energy: -0.473
local terms energy: -264.408132
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -54.642
flat angles C4'-P-C4' energy: -57.848
flat angles P-C4'-P energy: -37.327
tors. eta vs tors. theta energy: -74.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -854.334137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.334137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.334137 (E_RNA)
where:
Base-Base interactions energy: -588.414
where: short stacking energy: -260.364
Base-Backbone interact. energy: -1.018
local terms energy: -264.901305
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -53.208
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -69.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -717.674789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.674789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.674789 (E_RNA)
where:
Base-Base interactions energy: -488.259
where: short stacking energy: -187.905
Base-Backbone interact. energy: -1.742
local terms energy: -227.674184
where:
bonds (distance) C4'-P energy: -50.298
bonds (distance) P-C4' energy: -45.776
flat angles C4'-P-C4' energy: -55.389
flat angles P-C4'-P energy: -35.788
tors. eta vs tors. theta energy: -40.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -640.025995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.025995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.025995 (E_RNA)
where:
Base-Base interactions energy: -405.856
where: short stacking energy: -189.584
Base-Backbone interact. energy: -0.798
local terms energy: -233.372031
where:
bonds (distance) C4'-P energy: -44.733
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -56.585
flat angles P-C4'-P energy: -34.415
tors. eta vs tors. theta energy: -42.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -487.016970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.016970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.016970 (E_RNA)
where:
Base-Base interactions energy: -281.900
where: short stacking energy: -151.250
Base-Backbone interact. energy: 3.138
local terms energy: -208.254413
where:
bonds (distance) C4'-P energy: -57.298
bonds (distance) P-C4' energy: -49.388
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -25.893
tors. eta vs tors. theta energy: -17.488
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -433.752798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.752798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.752798 (E_RNA)
where:
Base-Base interactions energy: -224.137
where: short stacking energy: -129.207
Base-Backbone interact. energy: 0.306
local terms energy: -209.921157
where:
bonds (distance) C4'-P energy: -37.212
bonds (distance) P-C4' energy: -63.626
flat angles C4'-P-C4' energy: -55.760
flat angles P-C4'-P energy: -37.946
tors. eta vs tors. theta energy: -15.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1093.488913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.488913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.488913 (E_RNA)
where:
Base-Base interactions energy: -769.041
where: short stacking energy: -325.601
Base-Backbone interact. energy: 1.835
local terms energy: -326.283442
where:
bonds (distance) C4'-P energy: -58.435
bonds (distance) P-C4' energy: -69.160
flat angles C4'-P-C4' energy: -63.199
flat angles P-C4'-P energy: -50.711
tors. eta vs tors. theta energy: -84.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1043.303641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.303641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.303641 (E_RNA)
where:
Base-Base interactions energy: -706.501
where: short stacking energy: -290.163
Base-Backbone interact. energy: -1.592
local terms energy: -335.211210
where:
bonds (distance) C4'-P energy: -63.787
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -72.135
flat angles P-C4'-P energy: -49.295
tors. eta vs tors. theta energy: -88.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1020.376840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.376840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.376840 (E_RNA)
where:
Base-Base interactions energy: -684.341
where: short stacking energy: -321.155
Base-Backbone interact. energy: -1.450
local terms energy: -334.585923
where:
bonds (distance) C4'-P energy: -60.177
bonds (distance) P-C4' energy: -69.360
flat angles C4'-P-C4' energy: -66.986
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -91.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -934.312816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.312816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.312816 (E_RNA)
where:
Base-Base interactions energy: -657.117
where: short stacking energy: -280.562
Base-Backbone interact. energy: -0.645
local terms energy: -276.550532
where:
bonds (distance) C4'-P energy: -57.260
bonds (distance) P-C4' energy: -37.168
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -72.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -901.419643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.419643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.419643 (E_RNA)
where:
Base-Base interactions energy: -603.675
where: short stacking energy: -285.597
Base-Backbone interact. energy: 3.486
local terms energy: -301.230771
where:
bonds (distance) C4'-P energy: -66.635
bonds (distance) P-C4' energy: -57.498
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -30.652
tors. eta vs tors. theta energy: -83.539
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: 6, replica: 5
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -851.054654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.054654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.054654 (E_RNA)
where:
Base-Base interactions energy: -567.868
where: short stacking energy: -236.726
Base-Backbone interact. energy: -2.028
local terms energy: -281.159007
where:
bonds (distance) C4'-P energy: -54.317
bonds (distance) P-C4' energy: -57.237
flat angles C4'-P-C4' energy: -65.374
flat angles P-C4'-P energy: -38.875
tors. eta vs tors. theta energy: -65.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -720.777443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.777443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.777443 (E_RNA)
where:
Base-Base interactions energy: -480.263
where: short stacking energy: -217.704
Base-Backbone interact. energy: 0.753
local terms energy: -241.267203
where:
bonds (distance) C4'-P energy: -49.454
bonds (distance) P-C4' energy: -43.487
flat angles C4'-P-C4' energy: -51.267
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -61.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -649.689546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.689546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.689546 (E_RNA)
where:
Base-Base interactions energy: -416.153
where: short stacking energy: -191.507
Base-Backbone interact. energy: -2.996
local terms energy: -230.540340
where:
bonds (distance) C4'-P energy: -49.622
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -55.233
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -39.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -590.438360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.438360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.438360 (E_RNA)
where:
Base-Base interactions energy: -367.932
where: short stacking energy: -179.275
Base-Backbone interact. energy: -0.298
local terms energy: -222.208140
where:
bonds (distance) C4'-P energy: -39.052
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -51.116
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -43.356
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: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -409.379646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.379646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.379646 (E_RNA)
where:
Base-Base interactions energy: -214.923
where: short stacking energy: -137.884
Base-Backbone interact. energy: 2.730
local terms energy: -197.186055
where:
bonds (distance) C4'-P energy: -38.902
bonds (distance) P-C4' energy: -54.203
flat angles C4'-P-C4' energy: -55.766
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -29.281
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: 6
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1103.322420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.322420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.322420 (E_RNA)
where:
Base-Base interactions energy: -788.335
where: short stacking energy: -321.596
Base-Backbone interact. energy: -0.153
local terms energy: -314.834854
where:
bonds (distance) C4'-P energy: -57.199
bonds (distance) P-C4' energy: -60.775
flat angles C4'-P-C4' energy: -65.912
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -93.148
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1043.379031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.379031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.379031 (E_RNA)
where:
Base-Base interactions energy: -719.100
where: short stacking energy: -306.366
Base-Backbone interact. energy: -1.729
local terms energy: -322.550349
where:
bonds (distance) C4'-P energy: -58.020
bonds (distance) P-C4' energy: -66.092
flat angles C4'-P-C4' energy: -70.101
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: -85.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -959.374021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.374021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.374021 (E_RNA)
where:
Base-Base interactions energy: -676.848
where: short stacking energy: -289.209
Base-Backbone interact. energy: -2.006
local terms energy: -280.519988
where:
bonds (distance) C4'-P energy: -54.256
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -56.036
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -76.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -974.024294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.024294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.024294 (E_RNA)
where:
Base-Base interactions energy: -653.984
where: short stacking energy: -314.366
Base-Backbone interact. energy: -1.739
local terms energy: -318.301231
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -53.459
flat angles C4'-P-C4' energy: -71.470
flat angles P-C4'-P energy: -46.450
tors. eta vs tors. theta energy: -87.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -898.671012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.671012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.671012 (E_RNA)
where:
Base-Base interactions energy: -604.918
where: short stacking energy: -286.461
Base-Backbone interact. energy: -0.419
local terms energy: -293.333969
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -59.358
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -41.177
tors. eta vs tors. theta energy: -80.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -836.894073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.894073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.894073 (E_RNA)
where:
Base-Base interactions energy: -575.874
where: short stacking energy: -257.267
Base-Backbone interact. energy: 3.280
local terms energy: -264.299560
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -63.335
flat angles P-C4'-P energy: -34.949
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -653.040693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.040693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.040693 (E_RNA)
where:
Base-Base interactions energy: -420.484
where: short stacking energy: -202.125
Base-Backbone interact. energy: -0.893
local terms energy: -231.663262
where:
bonds (distance) C4'-P energy: -50.427
bonds (distance) P-C4' energy: -46.920
flat angles C4'-P-C4' energy: -61.370
flat angles P-C4'-P energy: -34.082
tors. eta vs tors. theta energy: -38.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -665.555072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.555072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.555072 (E_RNA)
where:
Base-Base interactions energy: -429.019
where: short stacking energy: -201.415
Base-Backbone interact. energy: -1.248
local terms energy: -235.288224
where:
bonds (distance) C4'-P energy: -55.557
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -47.916
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -35.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -585.546098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.546098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.546098 (E_RNA)
where:
Base-Base interactions energy: -369.954
where: short stacking energy: -184.051
Base-Backbone interact. energy: 0.049
local terms energy: -215.640374
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -43.195
flat angles C4'-P-C4' energy: -50.174
flat angles P-C4'-P energy: -36.524
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -326.267853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.267853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.267853 (E_RNA)
where:
Base-Base interactions energy: -171.114
where: short stacking energy: -90.562
Base-Backbone interact. energy: 3.523
local terms energy: -158.676333
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -41.193
flat angles C4'-P-C4' energy: -58.494
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -0.578
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: 6
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1085.251314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.251314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.251314 (E_RNA)
where:
Base-Base interactions energy: -765.281
where: short stacking energy: -311.410
Base-Backbone interact. energy: -0.199
local terms energy: -319.771738
where:
bonds (distance) C4'-P energy: -55.288
bonds (distance) P-C4' energy: -64.080
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -47.111
tors. eta vs tors. theta energy: -86.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1058.189988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.189988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.189988 (E_RNA)
where:
Base-Base interactions energy: -748.466
where: short stacking energy: -306.977
Base-Backbone interact. energy: -1.619
local terms energy: -308.105007
where:
bonds (distance) C4'-P energy: -56.607
bonds (distance) P-C4' energy: -57.499
flat angles C4'-P-C4' energy: -60.144
flat angles P-C4'-P energy: -47.405
tors. eta vs tors. theta energy: -86.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -964.994589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.994589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.994589 (E_RNA)
where:
Base-Base interactions energy: -663.942
where: short stacking energy: -293.237
Base-Backbone interact. energy: -1.732
local terms energy: -299.320590
where:
bonds (distance) C4'-P energy: -58.440
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -64.025
flat angles P-C4'-P energy: -44.609
tors. eta vs tors. theta energy: -75.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -972.917048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.917048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.917048 (E_RNA)
where:
Base-Base interactions energy: -674.048
where: short stacking energy: -301.973
Base-Backbone interact. energy: -1.519
local terms energy: -297.349680
where:
bonds (distance) C4'-P energy: -51.980
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -65.268
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -82.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -890.992724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.992724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.992724 (E_RNA)
where:
Base-Base interactions energy: -616.666
where: short stacking energy: -286.366
Base-Backbone interact. energy: 1.076
local terms energy: -275.402989
where:
bonds (distance) C4'-P energy: -51.107
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -37.711
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: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -860.220197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.220197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.220197 (E_RNA)
where:
Base-Base interactions energy: -587.910
where: short stacking energy: -260.509
Base-Backbone interact. energy: -0.618
local terms energy: -271.692724
where:
bonds (distance) C4'-P energy: -54.155
bonds (distance) P-C4' energy: -49.290
flat angles C4'-P-C4' energy: -65.149
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -66.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -668.938731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.938731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.938731 (E_RNA)
where:
Base-Base interactions energy: -422.824
where: short stacking energy: -206.180
Base-Backbone interact. energy: 0.258
local terms energy: -246.373209
where:
bonds (distance) C4'-P energy: -50.276
bonds (distance) P-C4' energy: -48.477
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -36.864
tors. eta vs tors. theta energy: -48.232
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: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -678.359315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.359315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.359315 (E_RNA)
where:
Base-Base interactions energy: -433.312
where: short stacking energy: -202.310
Base-Backbone interact. energy: 0.069
local terms energy: -245.116893
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -57.715
flat angles C4'-P-C4' energy: -54.531
flat angles P-C4'-P energy: -33.668
tors. eta vs tors. theta energy: -52.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -587.358602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.358602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.358602 (E_RNA)
where:
Base-Base interactions energy: -373.847
where: short stacking energy: -183.818
Base-Backbone interact. energy: 2.905
local terms energy: -216.416795
where:
bonds (distance) C4'-P energy: -50.568
bonds (distance) P-C4' energy: -44.302
flat angles C4'-P-C4' energy: -46.875
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: -45.300
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: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -320.646533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.646533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.646533 (E_RNA)
where:
Base-Base interactions energy: -161.128
where: short stacking energy: -84.096
Base-Backbone interact. energy: 1.740
local terms energy: -161.258693
where:
bonds (distance) C4'-P energy: -55.876
bonds (distance) P-C4' energy: -41.162
flat angles C4'-P-C4' energy: -43.968
flat angles P-C4'-P energy: -21.920
tors. eta vs tors. theta energy: 1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1112.101044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.101044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.101044 (E_RNA)
where:
Base-Base interactions energy: -779.178
where: short stacking energy: -328.385
Base-Backbone interact. energy: -1.113
local terms energy: -331.810504
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -64.684
flat angles C4'-P-C4' energy: -67.078
flat angles P-C4'-P energy: -44.403
tors. eta vs tors. theta energy: -90.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1072.724358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.724358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.724358 (E_RNA)
where:
Base-Base interactions energy: -734.124
where: short stacking energy: -316.000
Base-Backbone interact. energy: -1.644
local terms energy: -336.956412
where:
bonds (distance) C4'-P energy: -64.649
bonds (distance) P-C4' energy: -60.388
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -43.307
tors. eta vs tors. theta energy: -98.730
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: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1014.069019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.069019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.069019 (E_RNA)
where:
Base-Base interactions energy: -710.507
where: short stacking energy: -324.677
Base-Backbone interact. energy: 3.401
local terms energy: -306.963222
where:
bonds (distance) C4'-P energy: -47.359
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -89.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -952.735294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.735294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.735294 (E_RNA)
where:
Base-Base interactions energy: -660.596
where: short stacking energy: -283.107
Base-Backbone interact. energy: 1.539
local terms energy: -293.678629
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -60.799
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -74.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -883.372547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.372547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.372547 (E_RNA)
where:
Base-Base interactions energy: -597.686
where: short stacking energy: -282.442
Base-Backbone interact. energy: 1.121
local terms energy: -286.807845
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -60.089
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -40.655
tors. eta vs tors. theta energy: -70.604
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: 5
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -869.636623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.636623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.636623 (E_RNA)
where:
Base-Base interactions energy: -605.554
where: short stacking energy: -268.490
Base-Backbone interact. energy: -0.734
local terms energy: -263.348212
where:
bonds (distance) C4'-P energy: -54.423
bonds (distance) P-C4' energy: -44.716
flat angles C4'-P-C4' energy: -65.999
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -69.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -698.887957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.887957 (E_RNA)
where:
Base-Base interactions energy: -452.034
where: short stacking energy: -227.973
Base-Backbone interact. energy: -1.677
local terms energy: -245.176043
where:
bonds (distance) C4'-P energy: -50.776
bonds (distance) P-C4' energy: -47.244
flat angles C4'-P-C4' energy: -58.338
flat angles P-C4'-P energy: -36.717
tors. eta vs tors. theta energy: -52.102
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: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -651.784172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.784172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.784172 (E_RNA)
where:
Base-Base interactions energy: -412.863
where: short stacking energy: -192.465
Base-Backbone interact. energy: -0.415
local terms energy: -238.505623
where:
bonds (distance) C4'-P energy: -48.946
bonds (distance) P-C4' energy: -65.326
flat angles C4'-P-C4' energy: -53.106
flat angles P-C4'-P energy: -31.290
tors. eta vs tors. theta energy: -39.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -579.542530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.542530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.542530 (E_RNA)
where:
Base-Base interactions energy: -380.206
where: short stacking energy: -164.966
Base-Backbone interact. energy: 0.247
local terms energy: -199.583678
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -42.364
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -36.196
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -327.004746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.004746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.004746 (E_RNA)
where:
Base-Base interactions energy: -156.483
where: short stacking energy: -96.083
Base-Backbone interact. energy: 1.216
local terms energy: -171.737633
where:
bonds (distance) C4'-P energy: -41.051
bonds (distance) P-C4' energy: -53.911
flat angles C4'-P-C4' energy: -51.544
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: 6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1094.975347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.975347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.975347 (E_RNA)
where:
Base-Base interactions energy: -780.003
where: short stacking energy: -327.518
Base-Backbone interact. energy: -1.518
local terms energy: -313.454798
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -62.342
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -46.280
tors. eta vs tors. theta energy: -83.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1059.446904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.446904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.446904 (E_RNA)
where:
Base-Base interactions energy: -731.759
where: short stacking energy: -313.810
Base-Backbone interact. energy: -2.742
local terms energy: -324.946442
where:
bonds (distance) C4'-P energy: -58.593
bonds (distance) P-C4' energy: -63.880
flat angles C4'-P-C4' energy: -75.383
flat angles P-C4'-P energy: -38.567
tors. eta vs tors. theta energy: -88.524
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: 83
Temperature: 1.000000
Total energy: -1020.653007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.653007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.653007 (E_RNA)
where:
Base-Base interactions energy: -715.367
where: short stacking energy: -317.729
Base-Backbone interact. energy: -2.911
local terms energy: -302.375906
where:
bonds (distance) C4'-P energy: -47.745
bonds (distance) P-C4' energy: -56.655
flat angles C4'-P-C4' energy: -62.382
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -86.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -944.913597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.913597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.913597 (E_RNA)
where:
Base-Base interactions energy: -655.090
where: short stacking energy: -277.916
Base-Backbone interact. energy: -2.611
local terms energy: -287.213291
where:
bonds (distance) C4'-P energy: -55.199
bonds (distance) P-C4' energy: -54.528
flat angles C4'-P-C4' energy: -63.371
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -72.002
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: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -882.708769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.708769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.708769 (E_RNA)
where:
Base-Base interactions energy: -599.609
where: short stacking energy: -284.636
Base-Backbone interact. energy: -1.205
local terms energy: -281.895485
where:
bonds (distance) C4'-P energy: -41.207
bonds (distance) P-C4' energy: -61.613
flat angles C4'-P-C4' energy: -58.815
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -82.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -862.450490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.450490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.450490 (E_RNA)
where:
Base-Base interactions energy: -583.409
where: short stacking energy: -268.061
Base-Backbone interact. energy: -1.452
local terms energy: -277.589081
where:
bonds (distance) C4'-P energy: -53.695
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -56.021
flat angles P-C4'-P energy: -37.808
tors. eta vs tors. theta energy: -70.807
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: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -710.718762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.718762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.718762 (E_RNA)
where:
Base-Base interactions energy: -460.149
where: short stacking energy: -214.517
Base-Backbone interact. energy: -0.259
local terms energy: -250.311658
where:
bonds (distance) C4'-P energy: -44.807
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -50.310
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -55.812
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -646.047924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.047924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.047924 (E_RNA)
where:
Base-Base interactions energy: -433.360
where: short stacking energy: -199.094
Base-Backbone interact. energy: -0.768
local terms energy: -211.919398
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -39.150
flat angles C4'-P-C4' energy: -49.508
flat angles P-C4'-P energy: -23.789
tors. eta vs tors. theta energy: -40.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -597.952061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.952061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.952061 (E_RNA)
where:
Base-Base interactions energy: -378.939
where: short stacking energy: -182.156
Base-Backbone interact. energy: -0.763
local terms energy: -218.249842
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -57.324
flat angles C4'-P-C4' energy: -44.618
flat angles P-C4'-P energy: -30.735
tors. eta vs tors. theta energy: -35.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -265.643518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.643518 (E_RNA)
where:
Base-Base interactions energy: -85.797
where: short stacking energy: -84.093
Base-Backbone interact. energy: 1.602
local terms energy: -181.448971
where:
bonds (distance) C4'-P energy: -46.466
bonds (distance) P-C4' energy: -65.927
flat angles C4'-P-C4' energy: -37.620
flat angles P-C4'-P energy: -30.506
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1105.377290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.377290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.377290 (E_RNA)
where:
Base-Base interactions energy: -786.419
where: short stacking energy: -326.624
Base-Backbone interact. energy: -4.851
local terms energy: -314.106471
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -85.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1059.337432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.337432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.337432 (E_RNA)
where:
Base-Base interactions energy: -739.088
where: short stacking energy: -318.827
Base-Backbone interact. energy: -1.203
local terms energy: -319.047249
where:
bonds (distance) C4'-P energy: -53.942
bonds (distance) P-C4' energy: -66.010
flat angles C4'-P-C4' energy: -67.624
flat angles P-C4'-P energy: -43.897
tors. eta vs tors. theta energy: -87.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1012.994539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.994539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.994539 (E_RNA)
where:
Base-Base interactions energy: -698.816
where: short stacking energy: -311.155
Base-Backbone interact. energy: -0.616
local terms energy: -313.562744
where:
bonds (distance) C4'-P energy: -54.764
bonds (distance) P-C4' energy: -56.508
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -44.636
tors. eta vs tors. theta energy: -89.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -945.626895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.626895 (E_RNA)
where:
Base-Base interactions energy: -654.112
where: short stacking energy: -271.141
Base-Backbone interact. energy: -0.981
local terms energy: -290.533658
where:
bonds (distance) C4'-P energy: -55.629
bonds (distance) P-C4' energy: -59.660
flat angles C4'-P-C4' energy: -67.094
flat angles P-C4'-P energy: -38.173
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: 5, replica: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -900.781857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.781857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.781857 (E_RNA)
where:
Base-Base interactions energy: -614.958
where: short stacking energy: -267.715
Base-Backbone interact. energy: -0.964
local terms energy: -284.860480
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -59.748
flat angles C4'-P-C4' energy: -60.673
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -72.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -873.165542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.165542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.165542 (E_RNA)
where:
Base-Base interactions energy: -580.327
where: short stacking energy: -276.729
Base-Backbone interact. energy: -0.476
local terms energy: -292.363061
where:
bonds (distance) C4'-P energy: -58.777
bonds (distance) P-C4' energy: -53.226
flat angles C4'-P-C4' energy: -58.380
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -79.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -711.008358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.008358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.008358 (E_RNA)
where:
Base-Base interactions energy: -455.356
where: short stacking energy: -212.448
Base-Backbone interact. energy: -0.398
local terms energy: -255.254765
where:
bonds (distance) C4'-P energy: -50.745
bonds (distance) P-C4' energy: -56.926
flat angles C4'-P-C4' energy: -61.752
flat angles P-C4'-P energy: -26.087
tors. eta vs tors. theta energy: -59.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -648.187461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.187461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.187461 (E_RNA)
where:
Base-Base interactions energy: -432.539
where: short stacking energy: -205.289
Base-Backbone interact. energy: -0.016
local terms energy: -215.632562
where:
bonds (distance) C4'-P energy: -29.899
bonds (distance) P-C4' energy: -45.800
flat angles C4'-P-C4' energy: -54.159
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -49.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -595.977888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.977888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.977888 (E_RNA)
where:
Base-Base interactions energy: -371.583
where: short stacking energy: -185.004
Base-Backbone interact. energy: 0.845
local terms energy: -225.239603
where:
bonds (distance) C4'-P energy: -49.929
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -33.359
tors. eta vs tors. theta energy: -34.942
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: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -281.636609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.636609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.636609 (E_RNA)
where:
Base-Base interactions energy: -110.974
where: short stacking energy: -63.785
Base-Backbone interact. energy: -0.267
local terms energy: -170.395473
where:
bonds (distance) C4'-P energy: -47.954
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -45.542
flat angles P-C4'-P energy: -24.738
tors. eta vs tors. theta energy: 11.785
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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1113.652759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.652759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.652759 (E_RNA)
where:
Base-Base interactions energy: -795.920
where: short stacking energy: -335.709
Base-Backbone interact. energy: -0.171
local terms energy: -317.561834
where:
bonds (distance) C4'-P energy: -62.043
bonds (distance) P-C4' energy: -59.816
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -45.538
tors. eta vs tors. theta energy: -85.345
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: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1051.044021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.044021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.044021 (E_RNA)
where:
Base-Base interactions energy: -733.372
where: short stacking energy: -300.033
Base-Backbone interact. energy: -2.331
local terms energy: -315.341363
where:
bonds (distance) C4'-P energy: -59.817
bonds (distance) P-C4' energy: -62.129
flat angles C4'-P-C4' energy: -65.421
flat angles P-C4'-P energy: -41.418
tors. eta vs tors. theta energy: -86.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -990.341885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.341885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.341885 (E_RNA)
where:
Base-Base interactions energy: -686.534
where: short stacking energy: -285.189
Base-Backbone interact. energy: -1.344
local terms energy: -302.464266
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -59.516
flat angles C4'-P-C4' energy: -69.885
flat angles P-C4'-P energy: -41.687
tors. eta vs tors. theta energy: -79.314
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -931.018943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.018943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.018943 (E_RNA)
where:
Base-Base interactions energy: -646.272
where: short stacking energy: -272.627
Base-Backbone interact. energy: -1.667
local terms energy: -283.079319
where:
bonds (distance) C4'-P energy: -59.513
bonds (distance) P-C4' energy: -50.408
flat angles C4'-P-C4' energy: -60.724
flat angles P-C4'-P energy: -40.355
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: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -889.580790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.580790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.580790 (E_RNA)
where:
Base-Base interactions energy: -607.973
where: short stacking energy: -271.897
Base-Backbone interact. energy: -1.162
local terms energy: -280.445915
where:
bonds (distance) C4'-P energy: -59.077
bonds (distance) P-C4' energy: -54.293
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -37.406
tors. eta vs tors. theta energy: -68.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -854.167213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.167213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.167213 (E_RNA)
where:
Base-Base interactions energy: -565.874
where: short stacking energy: -257.007
Base-Backbone interact. energy: -1.286
local terms energy: -287.006909
where:
bonds (distance) C4'-P energy: -63.929
bonds (distance) P-C4' energy: -65.549
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -33.937
tors. eta vs tors. theta energy: -62.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -695.564244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.564244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.564244 (E_RNA)
where:
Base-Base interactions energy: -473.042
where: short stacking energy: -206.616
Base-Backbone interact. energy: -0.854
local terms energy: -221.668938
where:
bonds (distance) C4'-P energy: -50.057
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -41.270
flat angles P-C4'-P energy: -36.921
tors. eta vs tors. theta energy: -41.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -633.452671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.452671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.452671 (E_RNA)
where:
Base-Base interactions energy: -411.503
where: short stacking energy: -207.986
Base-Backbone interact. energy: -0.461
local terms energy: -221.488814
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -40.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -639.169939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.169939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.169939 (E_RNA)
where:
Base-Base interactions energy: -407.380
where: short stacking energy: -192.536
Base-Backbone interact. energy: -0.134
local terms energy: -231.656396
where:
bonds (distance) C4'-P energy: -45.545
bonds (distance) P-C4' energy: -54.070
flat angles C4'-P-C4' energy: -52.048
flat angles P-C4'-P energy: -34.519
tors. eta vs tors. theta energy: -45.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -306.386238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.386238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.386238 (E_RNA)
where:
Base-Base interactions energy: -127.711
where: short stacking energy: -90.238
Base-Backbone interact. energy: -0.851
local terms energy: -177.823410
where:
bonds (distance) C4'-P energy: -54.973
bonds (distance) P-C4' energy: -50.376
flat angles C4'-P-C4' energy: -40.548
flat angles P-C4'-P energy: -30.288
tors. eta vs tors. theta energy: -1.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1110.826519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.826519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.826519 (E_RNA)
where:
Base-Base interactions energy: -774.638
where: short stacking energy: -336.314
Base-Backbone interact. energy: -1.534
local terms energy: -334.654860
where:
bonds (distance) C4'-P energy: -62.238
bonds (distance) P-C4' energy: -68.628
flat angles C4'-P-C4' energy: -68.014
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -90.011
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: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1040.476126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.476126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.476126 (E_RNA)
where:
Base-Base interactions energy: -722.120
where: short stacking energy: -304.574
Base-Backbone interact. energy: -1.569
local terms energy: -316.786446
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -71.070
flat angles C4'-P-C4' energy: -66.588
flat angles P-C4'-P energy: -35.887
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1003.048981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.048981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.048981 (E_RNA)
where:
Base-Base interactions energy: -692.217
where: short stacking energy: -289.374
Base-Backbone interact. energy: -1.807
local terms energy: -309.025451
where:
bonds (distance) C4'-P energy: -60.265
bonds (distance) P-C4' energy: -56.563
flat angles C4'-P-C4' energy: -66.661
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: -77.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -889.000364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.000364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.000364 (E_RNA)
where:
Base-Base interactions energy: -607.325
where: short stacking energy: -249.399
Base-Backbone interact. energy: -4.379
local terms energy: -277.296533
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -63.085
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -66.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -905.664903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.664903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.664903 (E_RNA)
where:
Base-Base interactions energy: -626.198
where: short stacking energy: -284.775
Base-Backbone interact. energy: 1.247
local terms energy: -280.713541
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -46.603
flat angles C4'-P-C4' energy: -59.593
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -79.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -873.748569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.748569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.748569 (E_RNA)
where:
Base-Base interactions energy: -582.771
where: short stacking energy: -258.539
Base-Backbone interact. energy: -0.307
local terms energy: -290.670845
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -66.976
flat angles C4'-P-C4' energy: -66.885
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -64.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -688.165637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.165637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.165637 (E_RNA)
where:
Base-Base interactions energy: -428.503
where: short stacking energy: -209.474
Base-Backbone interact. energy: 1.357
local terms energy: -261.020247
where:
bonds (distance) C4'-P energy: -52.766
bonds (distance) P-C4' energy: -65.054
flat angles C4'-P-C4' energy: -54.511
flat angles P-C4'-P energy: -36.064
tors. eta vs tors. theta energy: -52.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -601.062613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.062613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.062613 (E_RNA)
where:
Base-Base interactions energy: -372.176
where: short stacking energy: -173.548
Base-Backbone interact. energy: -2.577
local terms energy: -226.309360
where:
bonds (distance) C4'-P energy: -53.323
bonds (distance) P-C4' energy: -58.411
flat angles C4'-P-C4' energy: -44.856
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -30.523
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: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -617.160825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.160825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.160825 (E_RNA)
where:
Base-Base interactions energy: -401.809
where: short stacking energy: -187.848
Base-Backbone interact. energy: -0.533
local terms energy: -214.819222
where:
bonds (distance) C4'-P energy: -42.115
bonds (distance) P-C4' energy: -49.288
flat angles C4'-P-C4' energy: -47.442
flat angles P-C4'-P energy: -38.021
tors. eta vs tors. theta energy: -37.954
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -288.243867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.243867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.243867 (E_RNA)
where:
Base-Base interactions energy: -131.741
where: short stacking energy: -97.284
Base-Backbone interact. energy: 6.994
local terms energy: -163.496650
where:
bonds (distance) C4'-P energy: -52.414
bonds (distance) P-C4' energy: -46.876
flat angles C4'-P-C4' energy: -43.901
flat angles P-C4'-P energy: -18.844
tors. eta vs tors. theta energy: -1.462
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: 6
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1114.169505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.169505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.169505 (E_RNA)
where:
Base-Base interactions energy: -780.108
where: short stacking energy: -311.298
Base-Backbone interact. energy: -0.820
local terms energy: -333.241045
where:
bonds (distance) C4'-P energy: -62.727
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -67.390
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -89.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1053.345714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.345714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.345714 (E_RNA)
where:
Base-Base interactions energy: -727.864
where: short stacking energy: -307.226
Base-Backbone interact. energy: -2.152
local terms energy: -323.329728
where:
bonds (distance) C4'-P energy: -62.381
bonds (distance) P-C4' energy: -61.442
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -89.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1027.700645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.700645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.700645 (E_RNA)
where:
Base-Base interactions energy: -717.990
where: short stacking energy: -297.306
Base-Backbone interact. energy: -2.760
local terms energy: -306.951111
where:
bonds (distance) C4'-P energy: -54.757
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -80.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -881.979805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.979805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.979805 (E_RNA)
where:
Base-Base interactions energy: -614.818
where: short stacking energy: -248.645
Base-Backbone interact. energy: -1.226
local terms energy: -265.935546
where:
bonds (distance) C4'-P energy: -51.695
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -59.083
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -63.457
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: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -928.696807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.696807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.696807 (E_RNA)
where:
Base-Base interactions energy: -646.011
where: short stacking energy: -282.782
Base-Backbone interact. energy: 0.011
local terms energy: -282.696866
where:
bonds (distance) C4'-P energy: -59.822
bonds (distance) P-C4' energy: -43.645
flat angles C4'-P-C4' energy: -58.719
flat angles P-C4'-P energy: -49.264
tors. eta vs tors. theta energy: -71.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -911.277972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.277972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.277972 (E_RNA)
where:
Base-Base interactions energy: -635.447
where: short stacking energy: -274.449
Base-Backbone interact. energy: -0.937
local terms energy: -274.893655
where:
bonds (distance) C4'-P energy: -44.599
bonds (distance) P-C4' energy: -47.155
flat angles C4'-P-C4' energy: -70.328
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -77.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -665.083175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.083175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.083175 (E_RNA)
where:
Base-Base interactions energy: -420.876
where: short stacking energy: -194.557
Base-Backbone interact. energy: -0.094
local terms energy: -244.113546
where:
bonds (distance) C4'-P energy: -52.863
bonds (distance) P-C4' energy: -45.617
flat angles C4'-P-C4' energy: -61.956
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -629.818411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.818411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.818411 (E_RNA)
where:
Base-Base interactions energy: -392.610
where: short stacking energy: -194.468
Base-Backbone interact. energy: -0.358
local terms energy: -236.850577
where:
bonds (distance) C4'-P energy: -62.192
bonds (distance) P-C4' energy: -55.881
flat angles C4'-P-C4' energy: -41.767
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -40.538
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: 9, replica: 8
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -568.515186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.515186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.515186 (E_RNA)
where:
Base-Base interactions energy: -363.506
where: short stacking energy: -155.443
Base-Backbone interact. energy: -1.554
local terms energy: -203.455545
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -46.633
flat angles P-C4'-P energy: -31.353
tors. eta vs tors. theta energy: -20.613
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: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -257.633228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.633228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.633228 (E_RNA)
where:
Base-Base interactions energy: -99.285
where: short stacking energy: -84.692
Base-Backbone interact. energy: 1.104
local terms energy: -159.452319
where:
bonds (distance) C4'-P energy: -53.881
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -46.854
flat angles P-C4'-P energy: -22.741
tors. eta vs tors. theta energy: 10.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1087.432542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.432542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.432542 (E_RNA)
where:
Base-Base interactions energy: -760.355
where: short stacking energy: -321.396
Base-Backbone interact. energy: -1.125
local terms energy: -325.953434
where:
bonds (distance) C4'-P energy: -63.687
bonds (distance) P-C4' energy: -59.118
flat angles C4'-P-C4' energy: -69.716
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: -92.012
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1054.327753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.327753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.327753 (E_RNA)
where:
Base-Base interactions energy: -734.303
where: short stacking energy: -321.134
Base-Backbone interact. energy: -0.719
local terms energy: -319.306351
where:
bonds (distance) C4'-P energy: -67.666
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -66.365
flat angles P-C4'-P energy: -48.721
tors. eta vs tors. theta energy: -87.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1026.124178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.124178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.124178 (E_RNA)
where:
Base-Base interactions energy: -713.600
where: short stacking energy: -313.095
Base-Backbone interact. energy: -0.114
local terms energy: -312.410408
where:
bonds (distance) C4'-P energy: -60.684
bonds (distance) P-C4' energy: -60.639
flat angles C4'-P-C4' energy: -68.349
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -79.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -914.122248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.122248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.122248 (E_RNA)
where:
Base-Base interactions energy: -640.588
where: short stacking energy: -273.884
Base-Backbone interact. energy: 2.295
local terms energy: -275.828647
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -71.287
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: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -906.876295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.876295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.876295 (E_RNA)
where:
Base-Base interactions energy: -624.689
where: short stacking energy: -285.294
Base-Backbone interact. energy: -0.659
local terms energy: -281.527787
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -54.113
flat angles C4'-P-C4' energy: -54.491
flat angles P-C4'-P energy: -37.653
tors. eta vs tors. theta energy: -74.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -892.808651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.808651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.808651 (E_RNA)
where:
Base-Base interactions energy: -605.181
where: short stacking energy: -259.481
Base-Backbone interact. energy: 2.765
local terms energy: -290.392554
where:
bonds (distance) C4'-P energy: -58.419
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -73.652
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -676.272584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.272584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.272584 (E_RNA)
where:
Base-Base interactions energy: -435.093
where: short stacking energy: -198.048
Base-Backbone interact. energy: -0.300
local terms energy: -240.879159
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -43.806
flat angles C4'-P-C4' energy: -63.114
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -42.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -647.969149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.969149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.969149 (E_RNA)
where:
Base-Base interactions energy: -431.706
where: short stacking energy: -211.560
Base-Backbone interact. energy: -1.755
local terms energy: -214.508481
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -47.193
flat angles P-C4'-P energy: -32.598
tors. eta vs tors. theta energy: -38.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -565.501460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.501460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.501460 (E_RNA)
where:
Base-Base interactions energy: -364.122
where: short stacking energy: -154.157
Base-Backbone interact. energy: 0.675
local terms energy: -202.054464
where:
bonds (distance) C4'-P energy: -56.861
bonds (distance) P-C4' energy: -51.037
flat angles C4'-P-C4' energy: -53.052
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -11.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -268.697992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.697992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.697992 (E_RNA)
where:
Base-Base interactions energy: -100.363
where: short stacking energy: -78.591
Base-Backbone interact. energy: -0.721
local terms energy: -167.614502
where:
bonds (distance) C4'-P energy: -52.513
bonds (distance) P-C4' energy: -44.394
flat angles C4'-P-C4' energy: -50.277
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: 0.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1095.431990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.431990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.431990 (E_RNA)
where:
Base-Base interactions energy: -759.851
where: short stacking energy: -318.185
Base-Backbone interact. energy: -1.858
local terms energy: -333.722441
where:
bonds (distance) C4'-P energy: -58.615
bonds (distance) P-C4' energy: -64.843
flat angles C4'-P-C4' energy: -74.647
flat angles P-C4'-P energy: -49.204
tors. eta vs tors. theta energy: -86.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1033.614578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.614578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.614578 (E_RNA)
where:
Base-Base interactions energy: -709.969
where: short stacking energy: -308.120
Base-Backbone interact. energy: 2.299
local terms energy: -325.944778
where:
bonds (distance) C4'-P energy: -65.473
bonds (distance) P-C4' energy: -63.646
flat angles C4'-P-C4' energy: -64.363
flat angles P-C4'-P energy: -50.147
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1024.543339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.543339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.543339 (E_RNA)
where:
Base-Base interactions energy: -699.932
where: short stacking energy: -298.192
Base-Backbone interact. energy: 0.894
local terms energy: -325.504872
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -68.821
flat angles P-C4'-P energy: -43.915
tors. eta vs tors. theta energy: -86.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -910.903023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.903023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.903023 (E_RNA)
where:
Base-Base interactions energy: -628.588
where: short stacking energy: -255.910
Base-Backbone interact. energy: -3.058
local terms energy: -279.257111
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -59.833
flat angles C4'-P-C4' energy: -53.958
flat angles P-C4'-P energy: -48.752
tors. eta vs tors. theta energy: -65.814
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: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -929.203519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.203519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.203519 (E_RNA)
where:
Base-Base interactions energy: -645.995
where: short stacking energy: -282.538
Base-Backbone interact. energy: -0.596
local terms energy: -282.611918
where:
bonds (distance) C4'-P energy: -42.237
bonds (distance) P-C4' energy: -55.973
flat angles C4'-P-C4' energy: -64.944
flat angles P-C4'-P energy: -37.264
tors. eta vs tors. theta energy: -82.195
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: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -884.482184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.482184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.482184 (E_RNA)
where:
Base-Base interactions energy: -594.882
where: short stacking energy: -278.032
Base-Backbone interact. energy: -0.023
local terms energy: -289.578109
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -62.180
flat angles C4'-P-C4' energy: -61.060
flat angles P-C4'-P energy: -44.200
tors. eta vs tors. theta energy: -73.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -660.902366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.902366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.902366 (E_RNA)
where:
Base-Base interactions energy: -416.310
where: short stacking energy: -208.965
Base-Backbone interact. energy: -0.788
local terms energy: -243.804439
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -56.051
flat angles C4'-P-C4' energy: -62.983
flat angles P-C4'-P energy: -26.024
tors. eta vs tors. theta energy: -47.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -681.150354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.150354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.150354 (E_RNA)
where:
Base-Base interactions energy: -450.962
where: short stacking energy: -202.288
Base-Backbone interact. energy: -0.335
local terms energy: -229.853785
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -55.378
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -47.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -586.134896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.134896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.134896 (E_RNA)
where:
Base-Base interactions energy: -370.468
where: short stacking energy: -178.297
Base-Backbone interact. energy: 1.012
local terms energy: -216.679209
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -50.605
flat angles C4'-P-C4' energy: -50.828
flat angles P-C4'-P energy: -33.190
tors. eta vs tors. theta energy: -35.270
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -319.225163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.225163 (E_RNA)
where:
Base-Base interactions energy: -162.910
where: short stacking energy: -104.864
Base-Backbone interact. energy: 2.429
local terms energy: -158.744794
where:
bonds (distance) C4'-P energy: -44.688
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -54.148
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: 0.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1096.206910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.206910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.206910 (E_RNA)
where:
Base-Base interactions energy: -777.096
where: short stacking energy: -325.075
Base-Backbone interact. energy: -1.698
local terms energy: -317.412293
where:
bonds (distance) C4'-P energy: -54.011
bonds (distance) P-C4' energy: -60.651
flat angles C4'-P-C4' energy: -75.082
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -88.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1066.973231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.973231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.973231 (E_RNA)
where:
Base-Base interactions energy: -749.634
where: short stacking energy: -317.841
Base-Backbone interact. energy: -2.311
local terms energy: -315.027762
where:
bonds (distance) C4'-P energy: -59.446
bonds (distance) P-C4' energy: -62.831
flat angles C4'-P-C4' energy: -62.679
flat angles P-C4'-P energy: -44.425
tors. eta vs tors. theta energy: -85.647
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: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1024.566370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.566370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.566370 (E_RNA)
where:
Base-Base interactions energy: -726.352
where: short stacking energy: -305.654
Base-Backbone interact. energy: -0.119
local terms energy: -298.095232
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -55.833
flat angles C4'-P-C4' energy: -55.007
flat angles P-C4'-P energy: -44.976
tors. eta vs tors. theta energy: -79.858
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: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -932.312815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.312815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.312815 (E_RNA)
where:
Base-Base interactions energy: -647.105
where: short stacking energy: -277.497
Base-Backbone interact. energy: -3.672
local terms energy: -281.535682
where:
bonds (distance) C4'-P energy: -54.266
bonds (distance) P-C4' energy: -61.004
flat angles C4'-P-C4' energy: -55.555
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -69.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -864.288615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.288615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.288615 (E_RNA)
where:
Base-Base interactions energy: -586.914
where: short stacking energy: -237.283
Base-Backbone interact. energy: -0.765
local terms energy: -276.609446
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -56.637
flat angles C4'-P-C4' energy: -60.538
flat angles P-C4'-P energy: -33.312
tors. eta vs tors. theta energy: -61.552
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: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -904.835435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.835435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.835435 (E_RNA)
where:
Base-Base interactions energy: -620.358
where: short stacking energy: -272.642
Base-Backbone interact. energy: -3.626
local terms energy: -280.850814
where:
bonds (distance) C4'-P energy: -52.887
bonds (distance) P-C4' energy: -56.892
flat angles C4'-P-C4' energy: -59.121
flat angles P-C4'-P energy: -39.328
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: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -719.654798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.654798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.654798 (E_RNA)
where:
Base-Base interactions energy: -458.582
where: short stacking energy: -204.795
Base-Backbone interact. energy: 0.034
local terms energy: -261.106657
where:
bonds (distance) C4'-P energy: -47.748
bonds (distance) P-C4' energy: -58.775
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -41.027
tors. eta vs tors. theta energy: -59.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -588.184562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.184562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.184562 (E_RNA)
where:
Base-Base interactions energy: -355.584
where: short stacking energy: -158.828
Base-Backbone interact. energy: -1.167
local terms energy: -231.432822
where:
bonds (distance) C4'-P energy: -48.592
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -53.253
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -27.773
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: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -587.372903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.372903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.372903 (E_RNA)
where:
Base-Base interactions energy: -381.362
where: short stacking energy: -181.441
Base-Backbone interact. energy: -0.085
local terms energy: -205.926054
where:
bonds (distance) C4'-P energy: -59.079
bonds (distance) P-C4' energy: -48.254
flat angles C4'-P-C4' energy: -41.618
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -341.830182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.830182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.830182 (E_RNA)
where:
Base-Base interactions energy: -185.429
where: short stacking energy: -100.155
Base-Backbone interact. energy: 0.327
local terms energy: -156.727820
where:
bonds (distance) C4'-P energy: -59.679
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -39.521
flat angles P-C4'-P energy: -16.166
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1080.878284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.878284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.878284 (E_RNA)
where:
Base-Base interactions energy: -774.265
where: short stacking energy: -324.576
Base-Backbone interact. energy: -1.437
local terms energy: -305.176776
where:
bonds (distance) C4'-P energy: -66.834
bonds (distance) P-C4' energy: -51.954
flat angles C4'-P-C4' energy: -66.043
flat angles P-C4'-P energy: -33.651
tors. eta vs tors. theta energy: -86.694
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: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1073.589718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.589718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.589718 (E_RNA)
where:
Base-Base interactions energy: -740.913
where: short stacking energy: -316.499
Base-Backbone interact. energy: -2.407
local terms energy: -330.269775
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -72.984
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -87.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1017.925820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.925820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.925820 (E_RNA)
where:
Base-Base interactions energy: -703.268
where: short stacking energy: -310.396
Base-Backbone interact. energy: -0.047
local terms energy: -314.610610
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -70.185
flat angles P-C4'-P energy: -44.810
tors. eta vs tors. theta energy: -86.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -926.329272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.329272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.329272 (E_RNA)
where:
Base-Base interactions energy: -627.507
where: short stacking energy: -293.098
Base-Backbone interact. energy: -3.375
local terms energy: -295.447658
where:
bonds (distance) C4'-P energy: -52.681
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -54.072
flat angles P-C4'-P energy: -48.121
tors. eta vs tors. theta energy: -80.805
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: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -932.509950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.509950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.509950 (E_RNA)
where:
Base-Base interactions energy: -637.778
where: short stacking energy: -259.814
Base-Backbone interact. energy: -1.202
local terms energy: -293.529799
where:
bonds (distance) C4'-P energy: -55.138
bonds (distance) P-C4' energy: -68.997
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -34.703
tors. eta vs tors. theta energy: -71.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -895.327262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.327262 (E_RNA)
where:
Base-Base interactions energy: -617.772
where: short stacking energy: -273.870
Base-Backbone interact. energy: 0.207
local terms energy: -277.762900
where:
bonds (distance) C4'-P energy: -60.213
bonds (distance) P-C4' energy: -63.269
flat angles C4'-P-C4' energy: -59.270
flat angles P-C4'-P energy: -31.572
tors. eta vs tors. theta energy: -63.439
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: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -679.365180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.365180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.365180 (E_RNA)
where:
Base-Base interactions energy: -436.197
where: short stacking energy: -209.270
Base-Backbone interact. energy: 1.590
local terms energy: -244.758310
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -55.730
flat angles C4'-P-C4' energy: -58.069
flat angles P-C4'-P energy: -36.453
tors. eta vs tors. theta energy: -41.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -552.292288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.292288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.292288 (E_RNA)
where:
Base-Base interactions energy: -322.720
where: short stacking energy: -164.162
Base-Backbone interact. energy: 0.456
local terms energy: -230.028072
where:
bonds (distance) C4'-P energy: -52.421
bonds (distance) P-C4' energy: -58.678
flat angles C4'-P-C4' energy: -50.304
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -30.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -522.516114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.516114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.516114 (E_RNA)
where:
Base-Base interactions energy: -324.899
where: short stacking energy: -162.406
Base-Backbone interact. energy: 2.054
local terms energy: -199.670899
where:
bonds (distance) C4'-P energy: -39.890
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -48.294
flat angles P-C4'-P energy: -31.458
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -332.474245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.474245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.474245 (E_RNA)
where:
Base-Base interactions energy: -155.580
where: short stacking energy: -109.847
Base-Backbone interact. energy: -0.328
local terms energy: -176.566201
where:
bonds (distance) C4'-P energy: -38.515
bonds (distance) P-C4' energy: -59.201
flat angles C4'-P-C4' energy: -43.816
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -2.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1076.799314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.799314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.799314 (E_RNA)
where:
Base-Base interactions energy: -756.106
where: short stacking energy: -313.887
Base-Backbone interact. energy: -0.934
local terms energy: -319.758813
where:
bonds (distance) C4'-P energy: -54.284
bonds (distance) P-C4' energy: -63.971
flat angles C4'-P-C4' energy: -67.713
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -90.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1086.837084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.837084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.837084 (E_RNA)
where:
Base-Base interactions energy: -767.907
where: short stacking energy: -314.911
Base-Backbone interact. energy: -0.562
local terms energy: -318.367954
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -58.942
flat angles C4'-P-C4' energy: -72.159
flat angles P-C4'-P energy: -43.762
tors. eta vs tors. theta energy: -87.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1020.273597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.273597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.273597 (E_RNA)
where:
Base-Base interactions energy: -711.113
where: short stacking energy: -299.232
Base-Backbone interact. energy: -0.765
local terms energy: -308.396384
where:
bonds (distance) C4'-P energy: -63.227
bonds (distance) P-C4' energy: -60.079
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -37.752
tors. eta vs tors. theta energy: -83.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -932.307603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.307603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.307603 (E_RNA)
where:
Base-Base interactions energy: -631.977
where: short stacking energy: -297.995
Base-Backbone interact. energy: -1.883
local terms energy: -298.447687
where:
bonds (distance) C4'-P energy: -54.566
bonds (distance) P-C4' energy: -64.441
flat angles C4'-P-C4' energy: -70.425
flat angles P-C4'-P energy: -27.807
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: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -890.533551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.533551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.533551 (E_RNA)
where:
Base-Base interactions energy: -595.329
where: short stacking energy: -261.181
Base-Backbone interact. energy: -1.538
local terms energy: -293.666321
where:
bonds (distance) C4'-P energy: -59.664
bonds (distance) P-C4' energy: -52.925
flat angles C4'-P-C4' energy: -63.977
flat angles P-C4'-P energy: -42.213
tors. eta vs tors. theta energy: -74.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -855.313233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.313233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.313233 (E_RNA)
where:
Base-Base interactions energy: -595.222
where: short stacking energy: -260.175
Base-Backbone interact. energy: -0.564
local terms energy: -259.528003
where:
bonds (distance) C4'-P energy: -49.947
bonds (distance) P-C4' energy: -55.860
flat angles C4'-P-C4' energy: -53.121
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -65.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -609.133864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.133864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.133864 (E_RNA)
where:
Base-Base interactions energy: -389.758
where: short stacking energy: -185.665
Base-Backbone interact. energy: 1.517
local terms energy: -220.892108
where:
bonds (distance) C4'-P energy: -52.936
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -51.607
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -30.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -651.972536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.972536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.972536 (E_RNA)
where:
Base-Base interactions energy: -432.257
where: short stacking energy: -193.157
Base-Backbone interact. energy: 4.770
local terms energy: -224.485367
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -40.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -541.615022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.615022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.615022 (E_RNA)
where:
Base-Base interactions energy: -329.199
where: short stacking energy: -160.203
Base-Backbone interact. energy: -2.072
local terms energy: -210.343664
where:
bonds (distance) C4'-P energy: -52.443
bonds (distance) P-C4' energy: -50.413
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -19.805
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: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -334.767503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.767503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.767503 (E_RNA)
where:
Base-Base interactions energy: -173.826
where: short stacking energy: -84.149
Base-Backbone interact. energy: 0.585
local terms energy: -161.525668
where:
bonds (distance) C4'-P energy: -43.339
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -44.899
flat angles P-C4'-P energy: -26.595
tors. eta vs tors. theta energy: 10.462
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: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1077.142952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.142952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.142952 (E_RNA)
where:
Base-Base interactions energy: -749.134
where: short stacking energy: -323.474
Base-Backbone interact. energy: -1.566
local terms energy: -326.443409
where:
bonds (distance) C4'-P energy: -57.702
bonds (distance) P-C4' energy: -66.201
flat angles C4'-P-C4' energy: -68.762
flat angles P-C4'-P energy: -39.895
tors. eta vs tors. theta energy: -93.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1051.607354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.607354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.607354 (E_RNA)
where:
Base-Base interactions energy: -741.545
where: short stacking energy: -287.712
Base-Backbone interact. energy: -1.434
local terms energy: -308.628603
where:
bonds (distance) C4'-P energy: -55.356
bonds (distance) P-C4' energy: -64.891
flat angles C4'-P-C4' energy: -67.275
flat angles P-C4'-P energy: -38.493
tors. eta vs tors. theta energy: -82.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1012.392511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.392511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.392511 (E_RNA)
where:
Base-Base interactions energy: -709.786
where: short stacking energy: -307.624
Base-Backbone interact. energy: -0.513
local terms energy: -302.094115
where:
bonds (distance) C4'-P energy: -55.138
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -60.498
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -82.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -879.277399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.277399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.277399 (E_RNA)
where:
Base-Base interactions energy: -596.260
where: short stacking energy: -252.692
Base-Backbone interact. energy: 0.097
local terms energy: -283.115236
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -64.138
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -37.319
tors. eta vs tors. theta energy: -65.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -891.843004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.843004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.843004 (E_RNA)
where:
Base-Base interactions energy: -606.434
where: short stacking energy: -281.301
Base-Backbone interact. energy: -1.213
local terms energy: -284.196518
where:
bonds (distance) C4'-P energy: -51.569
bonds (distance) P-C4' energy: -39.517
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -52.314
tors. eta vs tors. theta energy: -74.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -879.800384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.800384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.800384 (E_RNA)
where:
Base-Base interactions energy: -618.170
where: short stacking energy: -267.471
Base-Backbone interact. energy: -1.708
local terms energy: -259.921980
where:
bonds (distance) C4'-P energy: -49.638
bonds (distance) P-C4' energy: -56.878
flat angles C4'-P-C4' energy: -53.503
flat angles P-C4'-P energy: -23.561
tors. eta vs tors. theta energy: -76.342
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: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -616.410840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.410840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.410840 (E_RNA)
where:
Base-Base interactions energy: -366.426
where: short stacking energy: -181.748
Base-Backbone interact. energy: -2.435
local terms energy: -247.549446
where:
bonds (distance) C4'-P energy: -56.507
bonds (distance) P-C4' energy: -60.095
flat angles C4'-P-C4' energy: -56.068
flat angles P-C4'-P energy: -34.397
tors. eta vs tors. theta energy: -40.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -675.413819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.413819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.413819 (E_RNA)
where:
Base-Base interactions energy: -438.777
where: short stacking energy: -197.541
Base-Backbone interact. energy: -1.590
local terms energy: -235.046642
where:
bonds (distance) C4'-P energy: -45.692
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -55.432
flat angles P-C4'-P energy: -40.244
tors. eta vs tors. theta energy: -40.243
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: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -539.703904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.703904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.703904 (E_RNA)
where:
Base-Base interactions energy: -317.325
where: short stacking energy: -157.386
Base-Backbone interact. energy: -2.024
local terms energy: -220.354692
where:
bonds (distance) C4'-P energy: -52.541
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -58.215
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -34.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -325.424027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.424027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.424027 (E_RNA)
where:
Base-Base interactions energy: -159.907
where: short stacking energy: -95.673
Base-Backbone interact. energy: 6.694
local terms energy: -172.210896
where:
bonds (distance) C4'-P energy: -39.713
bonds (distance) P-C4' energy: -60.137
flat angles C4'-P-C4' energy: -44.089
flat angles P-C4'-P energy: -20.390
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: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1086.586605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.586605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.586605 (E_RNA)
where:
Base-Base interactions energy: -765.092
where: short stacking energy: -331.845
Base-Backbone interact. energy: -1.241
local terms energy: -320.253658
where:
bonds (distance) C4'-P energy: -43.894
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -67.537
flat angles P-C4'-P energy: -46.952
tors. eta vs tors. theta energy: -94.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1064.890614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.890614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.890614 (E_RNA)
where:
Base-Base interactions energy: -755.881
where: short stacking energy: -313.621
Base-Backbone interact. energy: -1.107
local terms energy: -307.902884
where:
bonds (distance) C4'-P energy: -53.699
bonds (distance) P-C4' energy: -61.903
flat angles C4'-P-C4' energy: -68.963
flat angles P-C4'-P energy: -33.381
tors. eta vs tors. theta energy: -89.957
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: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1031.860486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.860486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.860486 (E_RNA)
where:
Base-Base interactions energy: -720.626
where: short stacking energy: -301.936
Base-Backbone interact. energy: -0.822
local terms energy: -310.413288
where:
bonds (distance) C4'-P energy: -53.213
bonds (distance) P-C4' energy: -55.037
flat angles C4'-P-C4' energy: -67.297
flat angles P-C4'-P energy: -50.539
tors. eta vs tors. theta energy: -84.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -908.794761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.794761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.794761 (E_RNA)
where:
Base-Base interactions energy: -598.400
where: short stacking energy: -277.528
Base-Backbone interact. energy: -1.369
local terms energy: -309.025623
where:
bonds (distance) C4'-P energy: -59.312
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -63.801
flat angles P-C4'-P energy: -46.230
tors. eta vs tors. theta energy: -84.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -892.337673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.337673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.337673 (E_RNA)
where:
Base-Base interactions energy: -591.160
where: short stacking energy: -264.925
Base-Backbone interact. energy: -2.396
local terms energy: -298.782145
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -58.648
flat angles C4'-P-C4' energy: -63.973
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -71.821
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -882.021786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.021786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.021786 (E_RNA)
where:
Base-Base interactions energy: -601.496
where: short stacking energy: -273.661
Base-Backbone interact. energy: -0.453
local terms energy: -280.073114
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -64.081
flat angles C4'-P-C4' energy: -53.643
flat angles P-C4'-P energy: -44.413
tors. eta vs tors. theta energy: -75.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -693.830191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.830191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.830191 (E_RNA)
where:
Base-Base interactions energy: -442.937
where: short stacking energy: -200.542
Base-Backbone interact. energy: 2.217
local terms energy: -253.110427
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -65.187
flat angles C4'-P-C4' energy: -58.223
flat angles P-C4'-P energy: -29.732
tors. eta vs tors. theta energy: -45.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -649.321904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.321904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.321904 (E_RNA)
where:
Base-Base interactions energy: -410.062
where: short stacking energy: -191.121
Base-Backbone interact. energy: -0.976
local terms energy: -238.283496
where:
bonds (distance) C4'-P energy: -52.434
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -24.851
tors. eta vs tors. theta energy: -41.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -534.052480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.052480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.052480 (E_RNA)
where:
Base-Base interactions energy: -328.633
where: short stacking energy: -170.032
Base-Backbone interact. energy: -0.999
local terms energy: -204.420416
where:
bonds (distance) C4'-P energy: -49.355
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -45.372
flat angles P-C4'-P energy: -24.757
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -343.138858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.138858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.138858 (E_RNA)
where:
Base-Base interactions energy: -164.165
where: short stacking energy: -106.212
Base-Backbone interact. energy: 0.042
local terms energy: -179.015689
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -44.950
flat angles P-C4'-P energy: -20.042
tors. eta vs tors. theta energy: -7.469
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: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1086.981980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.981980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.981980 (E_RNA)
where:
Base-Base interactions energy: -763.023
where: short stacking energy: -323.468
Base-Backbone interact. energy: -0.482
local terms energy: -323.476205
where:
bonds (distance) C4'-P energy: -66.366
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -63.776
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -92.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1050.140251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.140251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.140251 (E_RNA)
where:
Base-Base interactions energy: -734.625
where: short stacking energy: -306.690
Base-Backbone interact. energy: 1.324
local terms energy: -316.839263
where:
bonds (distance) C4'-P energy: -60.245
bonds (distance) P-C4' energy: -57.202
flat angles C4'-P-C4' energy: -68.979
flat angles P-C4'-P energy: -40.969
tors. eta vs tors. theta energy: -89.444
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1042.801487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.801487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.801487 (E_RNA)
where:
Base-Base interactions energy: -728.436
where: short stacking energy: -319.420
Base-Backbone interact. energy: -0.899
local terms energy: -313.466717
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -68.807
flat angles C4'-P-C4' energy: -60.808
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -88.897
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: 95
Temperature: 1.050000
Total energy: -882.248025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.248025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.248025 (E_RNA)
where:
Base-Base interactions energy: -586.059
where: short stacking energy: -248.557
Base-Backbone interact. energy: -2.679
local terms energy: -293.510055
where:
bonds (distance) C4'-P energy: -62.422
bonds (distance) P-C4' energy: -60.440
flat angles C4'-P-C4' energy: -53.832
flat angles P-C4'-P energy: -40.338
tors. eta vs tors. theta energy: -76.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -893.859722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.859722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.859722 (E_RNA)
where:
Base-Base interactions energy: -598.748
where: short stacking energy: -263.772
Base-Backbone interact. energy: 0.765
local terms energy: -295.876112
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -54.007
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -75.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -855.527244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.527244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.527244 (E_RNA)
where:
Base-Base interactions energy: -573.188
where: short stacking energy: -249.521
Base-Backbone interact. energy: -0.894
local terms energy: -281.444830
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -58.931
flat angles C4'-P-C4' energy: -57.276
flat angles P-C4'-P energy: -30.802
tors. eta vs tors. theta energy: -68.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -699.597059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.597059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.597059 (E_RNA)
where:
Base-Base interactions energy: -459.488
where: short stacking energy: -204.395
Base-Backbone interact. energy: -0.683
local terms energy: -239.426000
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -55.237
flat angles P-C4'-P energy: -31.106
tors. eta vs tors. theta energy: -39.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -658.526971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.526971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.526971 (E_RNA)
where:
Base-Base interactions energy: -427.788
where: short stacking energy: -186.968
Base-Backbone interact. energy: -0.349
local terms energy: -230.389766
where:
bonds (distance) C4'-P energy: -47.960
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -53.545
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -35.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -555.746405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.746405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.746405 (E_RNA)
where:
Base-Base interactions energy: -347.907
where: short stacking energy: -175.003
Base-Backbone interact. energy: -0.150
local terms energy: -207.688995
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -22.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -326.513769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.513769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.513769 (E_RNA)
where:
Base-Base interactions energy: -165.981
where: short stacking energy: -105.664
Base-Backbone interact. energy: -0.272
local terms energy: -160.260599
where:
bonds (distance) C4'-P energy: -47.494
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -46.307
flat angles P-C4'-P energy: -25.535
tors. eta vs tors. theta energy: 3.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1104.662412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.662412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.662412 (E_RNA)
where:
Base-Base interactions energy: -775.627
where: short stacking energy: -331.068
Base-Backbone interact. energy: -1.962
local terms energy: -327.073445
where:
bonds (distance) C4'-P energy: -63.254
bonds (distance) P-C4' energy: -63.214
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -39.680
tors. eta vs tors. theta energy: -86.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1035.009250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.009250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.009250 (E_RNA)
where:
Base-Base interactions energy: -705.967
where: short stacking energy: -288.978
Base-Backbone interact. energy: -1.889
local terms energy: -327.153343
where:
bonds (distance) C4'-P energy: -70.602
bonds (distance) P-C4' energy: -62.954
flat angles C4'-P-C4' energy: -66.580
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -84.640
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: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1023.196641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.196641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.196641 (E_RNA)
where:
Base-Base interactions energy: -708.903
where: short stacking energy: -304.195
Base-Backbone interact. energy: -0.065
local terms energy: -314.228763
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -61.690
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -91.186
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: 3
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -881.247299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.247299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.247299 (E_RNA)
where:
Base-Base interactions energy: -603.635
where: short stacking energy: -248.911
Base-Backbone interact. energy: -0.746
local terms energy: -276.866225
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -51.723
flat angles C4'-P-C4' energy: -61.375
flat angles P-C4'-P energy: -42.484
tors. eta vs tors. theta energy: -64.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -924.427716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.427716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.427716 (E_RNA)
where:
Base-Base interactions energy: -617.286
where: short stacking energy: -277.295
Base-Backbone interact. energy: -0.503
local terms energy: -306.638228
where:
bonds (distance) C4'-P energy: -62.106
bonds (distance) P-C4' energy: -59.446
flat angles C4'-P-C4' energy: -63.222
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -82.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -863.867833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.867833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.867833 (E_RNA)
where:
Base-Base interactions energy: -603.177
where: short stacking energy: -258.785
Base-Backbone interact. energy: -2.896
local terms energy: -257.794263
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -44.489
flat angles C4'-P-C4' energy: -57.917
flat angles P-C4'-P energy: -33.425
tors. eta vs tors. theta energy: -70.514
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: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -758.093171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.093171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.093171 (E_RNA)
where:
Base-Base interactions energy: -503.934
where: short stacking energy: -210.477
Base-Backbone interact. energy: 0.052
local terms energy: -254.210845
where:
bonds (distance) C4'-P energy: -58.745
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -64.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -671.977684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.977684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.977684 (E_RNA)
where:
Base-Base interactions energy: -426.447
where: short stacking energy: -181.483
Base-Backbone interact. energy: -1.112
local terms energy: -244.419195
where:
bonds (distance) C4'-P energy: -51.478
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -32.337
tors. eta vs tors. theta energy: -46.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -561.021323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.021323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.021323 (E_RNA)
where:
Base-Base interactions energy: -335.061
where: short stacking energy: -161.810
Base-Backbone interact. energy: 2.732
local terms energy: -228.691387
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -58.359
flat angles P-C4'-P energy: -35.507
tors. eta vs tors. theta energy: -35.270
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: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -355.104719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.104719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.104719 (E_RNA)
where:
Base-Base interactions energy: -187.976
where: short stacking energy: -106.184
Base-Backbone interact. energy: 2.075
local terms energy: -169.203746
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -43.036
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -8.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1073.082124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.082124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.082124 (E_RNA)
where:
Base-Base interactions energy: -748.436
where: short stacking energy: -314.289
Base-Backbone interact. energy: 1.495
local terms energy: -326.140749
where:
bonds (distance) C4'-P energy: -62.529
bonds (distance) P-C4' energy: -55.746
flat angles C4'-P-C4' energy: -71.503
flat angles P-C4'-P energy: -49.540
tors. eta vs tors. theta energy: -86.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1051.970560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.970560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.970560 (E_RNA)
where:
Base-Base interactions energy: -721.789
where: short stacking energy: -322.340
Base-Backbone interact. energy: 0.932
local terms energy: -331.113240
where:
bonds (distance) C4'-P energy: -68.611
bonds (distance) P-C4' energy: -64.735
flat angles C4'-P-C4' energy: -63.786
flat angles P-C4'-P energy: -45.928
tors. eta vs tors. theta energy: -88.054
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: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1033.830472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.830472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.830472 (E_RNA)
where:
Base-Base interactions energy: -725.001
where: short stacking energy: -306.574
Base-Backbone interact. energy: -1.549
local terms energy: -307.280547
where:
bonds (distance) C4'-P energy: -56.396
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -59.969
flat angles P-C4'-P energy: -47.146
tors. eta vs tors. theta energy: -83.702
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: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -928.982139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.982139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.982139 (E_RNA)
where:
Base-Base interactions energy: -632.330
where: short stacking energy: -293.913
Base-Backbone interact. energy: -0.744
local terms energy: -295.908337
where:
bonds (distance) C4'-P energy: -60.345
bonds (distance) P-C4' energy: -47.954
flat angles C4'-P-C4' energy: -61.357
flat angles P-C4'-P energy: -44.175
tors. eta vs tors. theta energy: -82.077
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: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -871.124925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.124925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.124925 (E_RNA)
where:
Base-Base interactions energy: -600.197
where: short stacking energy: -255.544
Base-Backbone interact. energy: -2.092
local terms energy: -268.835790
where:
bonds (distance) C4'-P energy: -47.720
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -63.044
flat angles P-C4'-P energy: -38.073
tors. eta vs tors. theta energy: -70.264
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: 10
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -879.553882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.553882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.553882 (E_RNA)
where:
Base-Base interactions energy: -596.388
where: short stacking energy: -272.659
Base-Backbone interact. energy: -0.405
local terms energy: -282.760509
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -65.584
flat angles P-C4'-P energy: -43.714
tors. eta vs tors. theta energy: -71.663
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: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -764.831589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.831589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.831589 (E_RNA)
where:
Base-Base interactions energy: -518.701
where: short stacking energy: -213.967
Base-Backbone interact. energy: -0.269
local terms energy: -245.861948
where:
bonds (distance) C4'-P energy: -53.818
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -58.633
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -41.980
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: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -690.590838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.590838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.590838 (E_RNA)
where:
Base-Base interactions energy: -444.300
where: short stacking energy: -210.069
Base-Backbone interact. energy: -0.120
local terms energy: -246.170917
where:
bonds (distance) C4'-P energy: -53.174
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -46.014
flat angles P-C4'-P energy: -34.449
tors. eta vs tors. theta energy: -55.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -583.611609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.611609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.611609 (E_RNA)
where:
Base-Base interactions energy: -360.474
where: short stacking energy: -176.461
Base-Backbone interact. energy: -0.680
local terms energy: -222.456889
where:
bonds (distance) C4'-P energy: -53.692
bonds (distance) P-C4' energy: -51.283
flat angles C4'-P-C4' energy: -48.979
flat angles P-C4'-P energy: -36.789
tors. eta vs tors. theta energy: -31.713
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: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -379.105147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.105147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.105147 (E_RNA)
where:
Base-Base interactions energy: -212.724
where: short stacking energy: -114.787
Base-Backbone interact. energy: -0.318
local terms energy: -166.063170
where:
bonds (distance) C4'-P energy: -41.993
bonds (distance) P-C4' energy: -50.688
flat angles C4'-P-C4' energy: -36.547
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -14.786
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: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1098.152789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.152789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.152789 (E_RNA)
where:
Base-Base interactions energy: -774.188
where: short stacking energy: -328.326
Base-Backbone interact. energy: -0.174
local terms energy: -323.790849
where:
bonds (distance) C4'-P energy: -57.421
bonds (distance) P-C4' energy: -59.647
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -47.807
tors. eta vs tors. theta energy: -91.991
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: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1064.571108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.571108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.571108 (E_RNA)
where:
Base-Base interactions energy: -733.418
where: short stacking energy: -326.849
Base-Backbone interact. energy: -1.082
local terms energy: -330.070716
where:
bonds (distance) C4'-P energy: -65.626
bonds (distance) P-C4' energy: -61.373
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -90.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1021.780098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.780098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.780098 (E_RNA)
where:
Base-Base interactions energy: -708.494
where: short stacking energy: -309.652
Base-Backbone interact. energy: 2.780
local terms energy: -316.066413
where:
bonds (distance) C4'-P energy: -59.573
bonds (distance) P-C4' energy: -61.265
flat angles C4'-P-C4' energy: -73.029
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -83.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -961.059807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.059807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.059807 (E_RNA)
where:
Base-Base interactions energy: -652.062
where: short stacking energy: -307.950
Base-Backbone interact. energy: -1.273
local terms energy: -307.725039
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -55.095
flat angles C4'-P-C4' energy: -68.892
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -85.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -901.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.070793 (E_RNA)
where:
Base-Base interactions energy: -605.906
where: short stacking energy: -274.175
Base-Backbone interact. energy: -1.487
local terms energy: -293.678069
where:
bonds (distance) C4'-P energy: -42.963
bonds (distance) P-C4' energy: -70.883
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -41.870
tors. eta vs tors. theta energy: -72.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -852.028406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.028406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.028406 (E_RNA)
where:
Base-Base interactions energy: -584.731
where: short stacking energy: -249.628
Base-Backbone interact. energy: -2.905
local terms energy: -264.392709
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -56.001
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -56.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -789.854815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.854815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.854815 (E_RNA)
where:
Base-Base interactions energy: -544.053
where: short stacking energy: -232.442
Base-Backbone interact. energy: 0.128
local terms energy: -245.929681
where:
bonds (distance) C4'-P energy: -41.037
bonds (distance) P-C4' energy: -56.833
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -37.936
tors. eta vs tors. theta energy: -55.511
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: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -667.833369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.833369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.833369 (E_RNA)
where:
Base-Base interactions energy: -415.854
where: short stacking energy: -179.560
Base-Backbone interact. energy: 0.341
local terms energy: -252.320372
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -64.551
flat angles C4'-P-C4' energy: -55.488
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -37.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -558.617977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.617977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.617977 (E_RNA)
where:
Base-Base interactions energy: -336.247
where: short stacking energy: -149.287
Base-Backbone interact. energy: 1.204
local terms energy: -223.575636
where:
bonds (distance) C4'-P energy: -53.797
bonds (distance) P-C4' energy: -56.021
flat angles C4'-P-C4' energy: -54.111
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -29.872
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: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -398.446056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.446056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.446056 (E_RNA)
where:
Base-Base interactions energy: -222.904
where: short stacking energy: -116.401
Base-Backbone interact. energy: -1.805
local terms energy: -173.736761
where:
bonds (distance) C4'-P energy: -37.842
bonds (distance) P-C4' energy: -49.553
flat angles C4'-P-C4' energy: -41.794
flat angles P-C4'-P energy: -29.991
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1096.951971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.951971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.951971 (E_RNA)
where:
Base-Base interactions energy: -757.973
where: short stacking energy: -332.985
Base-Backbone interact. energy: -2.999
local terms energy: -335.979102
where:
bonds (distance) C4'-P energy: -62.033
bonds (distance) P-C4' energy: -65.235
flat angles C4'-P-C4' energy: -68.394
flat angles P-C4'-P energy: -48.633
tors. eta vs tors. theta energy: -91.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1053.134034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.134034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.134034 (E_RNA)
where:
Base-Base interactions energy: -734.364
where: short stacking energy: -336.746
Base-Backbone interact. energy: -1.656
local terms energy: -317.113860
where:
bonds (distance) C4'-P energy: -57.125
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -63.937
flat angles P-C4'-P energy: -47.630
tors. eta vs tors. theta energy: -94.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1006.676592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.676592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.676592 (E_RNA)
where:
Base-Base interactions energy: -696.299
where: short stacking energy: -275.711
Base-Backbone interact. energy: -1.354
local terms energy: -309.023627
where:
bonds (distance) C4'-P energy: -66.989
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -57.484
flat angles P-C4'-P energy: -46.222
tors. eta vs tors. theta energy: -77.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -941.039550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.039550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.039550 (E_RNA)
where:
Base-Base interactions energy: -649.762
where: short stacking energy: -292.921
Base-Backbone interact. energy: -1.260
local terms energy: -290.017506
where:
bonds (distance) C4'-P energy: -51.427
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -56.543
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -77.760
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: 5, replica: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -914.853254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.853254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.853254 (E_RNA)
where:
Base-Base interactions energy: -628.010
where: short stacking energy: -292.260
Base-Backbone interact. energy: -1.091
local terms energy: -285.752359
where:
bonds (distance) C4'-P energy: -52.367
bonds (distance) P-C4' energy: -47.812
flat angles C4'-P-C4' energy: -68.527
flat angles P-C4'-P energy: -42.879
tors. eta vs tors. theta energy: -74.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -853.355774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.355774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.355774 (E_RNA)
where:
Base-Base interactions energy: -592.676
where: short stacking energy: -237.520
Base-Backbone interact. energy: -1.516
local terms energy: -259.163245
where:
bonds (distance) C4'-P energy: -51.177
bonds (distance) P-C4' energy: -51.799
flat angles C4'-P-C4' energy: -60.271
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -58.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -831.787549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.787549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.787549 (E_RNA)
where:
Base-Base interactions energy: -568.470
where: short stacking energy: -253.066
Base-Backbone interact. energy: 1.881
local terms energy: -265.198193
where:
bonds (distance) C4'-P energy: -46.480
bonds (distance) P-C4' energy: -54.721
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -63.772
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: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -679.231278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.231278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.231278 (E_RNA)
where:
Base-Base interactions energy: -434.983
where: short stacking energy: -211.096
Base-Backbone interact. energy: -0.595
local terms energy: -243.653083
where:
bonds (distance) C4'-P energy: -47.367
bonds (distance) P-C4' energy: -61.783
flat angles C4'-P-C4' energy: -57.503
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -53.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -552.170535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.170535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.170535 (E_RNA)
where:
Base-Base interactions energy: -339.686
where: short stacking energy: -168.362
Base-Backbone interact. energy: -1.453
local terms energy: -211.031900
where:
bonds (distance) C4'-P energy: -43.810
bonds (distance) P-C4' energy: -49.192
flat angles C4'-P-C4' energy: -51.291
flat angles P-C4'-P energy: -35.228
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -471.095672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.095672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.095672 (E_RNA)
where:
Base-Base interactions energy: -298.190
where: short stacking energy: -143.271
Base-Backbone interact. energy: 3.055
local terms energy: -175.960202
where:
bonds (distance) C4'-P energy: -49.533
bonds (distance) P-C4' energy: -46.510
flat angles C4'-P-C4' energy: -43.540
flat angles P-C4'-P energy: -28.106
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1065.649191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.649191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.649191 (E_RNA)
where:
Base-Base interactions energy: -744.440
where: short stacking energy: -304.105
Base-Backbone interact. energy: -1.893
local terms energy: -319.316335
where:
bonds (distance) C4'-P energy: -56.159
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -69.015
flat angles P-C4'-P energy: -43.885
tors. eta vs tors. theta energy: -87.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1074.657961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.657961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.657961 (E_RNA)
where:
Base-Base interactions energy: -757.049
where: short stacking energy: -329.884
Base-Backbone interact. energy: 2.107
local terms energy: -319.716177
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -54.746
flat angles C4'-P-C4' energy: -73.065
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -93.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1057.097755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.097755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.097755 (E_RNA)
where:
Base-Base interactions energy: -748.967
where: short stacking energy: -292.582
Base-Backbone interact. energy: -0.890
local terms energy: -307.240601
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -66.378
flat angles C4'-P-C4' energy: -58.177
flat angles P-C4'-P energy: -42.627
tors. eta vs tors. theta energy: -82.570
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: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -917.457694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.457694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.457694 (E_RNA)
where:
Base-Base interactions energy: -627.186
where: short stacking energy: -280.356
Base-Backbone interact. energy: 0.822
local terms energy: -291.093745
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -50.311
flat angles C4'-P-C4' energy: -67.575
flat angles P-C4'-P energy: -39.932
tors. eta vs tors. theta energy: -81.577
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: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -913.656654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.656654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.656654 (E_RNA)
where:
Base-Base interactions energy: -629.390
where: short stacking energy: -294.448
Base-Backbone interact. energy: -0.991
local terms energy: -283.275822
where:
bonds (distance) C4'-P energy: -52.859
bonds (distance) P-C4' energy: -43.135
flat angles C4'-P-C4' energy: -70.115
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -81.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -899.627412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.627412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.627412 (E_RNA)
where:
Base-Base interactions energy: -609.061
where: short stacking energy: -254.316
Base-Backbone interact. energy: -3.969
local terms energy: -286.597725
where:
bonds (distance) C4'-P energy: -55.925
bonds (distance) P-C4' energy: -72.366
flat angles C4'-P-C4' energy: -65.088
flat angles P-C4'-P energy: -32.687
tors. eta vs tors. theta energy: -60.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -852.945640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.945640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.945640 (E_RNA)
where:
Base-Base interactions energy: -588.836
where: short stacking energy: -261.379
Base-Backbone interact. energy: -1.588
local terms energy: -262.521684
where:
bonds (distance) C4'-P energy: -54.543
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -61.851
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: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -686.588502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.588502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.588502 (E_RNA)
where:
Base-Base interactions energy: -457.444
where: short stacking energy: -207.227
Base-Backbone interact. energy: -0.556
local terms energy: -228.588480
where:
bonds (distance) C4'-P energy: -51.661
bonds (distance) P-C4' energy: -52.451
flat angles C4'-P-C4' energy: -54.035
flat angles P-C4'-P energy: -20.660
tors. eta vs tors. theta energy: -49.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -551.087621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.087621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.087621 (E_RNA)
where:
Base-Base interactions energy: -346.875
where: short stacking energy: -165.598
Base-Backbone interact. energy: -0.129
local terms energy: -204.083997
where:
bonds (distance) C4'-P energy: -43.713
bonds (distance) P-C4' energy: -51.650
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -487.577799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.577799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.577799 (E_RNA)
where:
Base-Base interactions energy: -290.174
where: short stacking energy: -129.020
Base-Backbone interact. energy: -1.381
local terms energy: -196.022469
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -33.967
tors. eta vs tors. theta energy: -18.915
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: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1057.215647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.215647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.215647 (E_RNA)
where:
Base-Base interactions energy: -714.181
where: short stacking energy: -311.258
Base-Backbone interact. energy: -0.233
local terms energy: -342.801523
where:
bonds (distance) C4'-P energy: -66.323
bonds (distance) P-C4' energy: -70.764
flat angles C4'-P-C4' energy: -74.759
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -85.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1054.583985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.583985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.583985 (E_RNA)
where:
Base-Base interactions energy: -727.058
where: short stacking energy: -327.224
Base-Backbone interact. energy: 0.063
local terms energy: -327.589294
where:
bonds (distance) C4'-P energy: -69.079
bonds (distance) P-C4' energy: -59.246
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -43.008
tors. eta vs tors. theta energy: -90.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1034.870781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.870781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.870781 (E_RNA)
where:
Base-Base interactions energy: -731.429
where: short stacking energy: -292.455
Base-Backbone interact. energy: -1.292
local terms energy: -302.150280
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -64.353
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -33.548
tors. eta vs tors. theta energy: -83.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -941.777550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.777550 (E_RNA)
where:
Base-Base interactions energy: -638.626
where: short stacking energy: -290.908
Base-Backbone interact. energy: -1.434
local terms energy: -301.717605
where:
bonds (distance) C4'-P energy: -53.464
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -67.966
flat angles P-C4'-P energy: -47.915
tors. eta vs tors. theta energy: -79.765
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -891.982034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.982034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.982034 (E_RNA)
where:
Base-Base interactions energy: -603.544
where: short stacking energy: -277.540
Base-Backbone interact. energy: -1.953
local terms energy: -286.485345
where:
bonds (distance) C4'-P energy: -50.636
bonds (distance) P-C4' energy: -64.014
flat angles C4'-P-C4' energy: -58.319
flat angles P-C4'-P energy: -38.408
tors. eta vs tors. theta energy: -75.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -912.822909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.822909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.822909 (E_RNA)
where:
Base-Base interactions energy: -636.917
where: short stacking energy: -261.449
Base-Backbone interact. energy: -2.412
local terms energy: -273.493901
where:
bonds (distance) C4'-P energy: -63.519
bonds (distance) P-C4' energy: -56.180
flat angles C4'-P-C4' energy: -63.209
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: -64.932
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: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -827.731649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.731649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.731649 (E_RNA)
where:
Base-Base interactions energy: -568.385
where: short stacking energy: -224.823
Base-Backbone interact. energy: -0.362
local terms energy: -258.984978
where:
bonds (distance) C4'-P energy: -56.302
bonds (distance) P-C4' energy: -41.961
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -54.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -618.656740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.656740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.656740 (E_RNA)
where:
Base-Base interactions energy: -399.012
where: short stacking energy: -170.677
Base-Backbone interact. energy: -0.344
local terms energy: -219.301061
where:
bonds (distance) C4'-P energy: -43.390
bonds (distance) P-C4' energy: -45.559
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -37.833
tors. eta vs tors. theta energy: -33.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -505.194944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.194944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.194944 (E_RNA)
where:
Base-Base interactions energy: -317.158
where: short stacking energy: -152.887
Base-Backbone interact. energy: -1.100
local terms energy: -186.936695
where:
bonds (distance) C4'-P energy: -48.057
bonds (distance) P-C4' energy: -56.726
flat angles C4'-P-C4' energy: -44.171
flat angles P-C4'-P energy: -17.138
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -406.277796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.277796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.277796 (E_RNA)
where:
Base-Base interactions energy: -231.434
where: short stacking energy: -114.031
Base-Backbone interact. energy: -0.654
local terms energy: -174.190762
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -55.674
flat angles C4'-P-C4' energy: -42.891
flat angles P-C4'-P energy: -23.395
tors. eta vs tors. theta energy: -2.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1062.098169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.098169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.098169 (E_RNA)
where:
Base-Base interactions energy: -741.077
where: short stacking energy: -309.824
Base-Backbone interact. energy: 1.070
local terms energy: -322.090637
where:
bonds (distance) C4'-P energy: -64.436
bonds (distance) P-C4' energy: -61.681
flat angles C4'-P-C4' energy: -65.874
flat angles P-C4'-P energy: -40.836
tors. eta vs tors. theta energy: -89.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1028.355390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.355390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.355390 (E_RNA)
where:
Base-Base interactions energy: -707.606
where: short stacking energy: -313.039
Base-Backbone interact. energy: -3.054
local terms energy: -317.695768
where:
bonds (distance) C4'-P energy: -59.729
bonds (distance) P-C4' energy: -64.670
flat angles C4'-P-C4' energy: -64.949
flat angles P-C4'-P energy: -47.064
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1023.642646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.642646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.642646 (E_RNA)
where:
Base-Base interactions energy: -713.925
where: short stacking energy: -299.123
Base-Backbone interact. energy: -0.602
local terms energy: -309.115542
where:
bonds (distance) C4'-P energy: -57.438
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -66.993
flat angles P-C4'-P energy: -46.995
tors. eta vs tors. theta energy: -81.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -923.010660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.010660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.010660 (E_RNA)
where:
Base-Base interactions energy: -640.262
where: short stacking energy: -290.227
Base-Backbone interact. energy: 0.425
local terms energy: -283.174394
where:
bonds (distance) C4'-P energy: -51.988
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -60.104
flat angles P-C4'-P energy: -33.389
tors. eta vs tors. theta energy: -80.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -921.799206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.799206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.799206 (E_RNA)
where:
Base-Base interactions energy: -636.928
where: short stacking energy: -274.674
Base-Backbone interact. energy: 1.920
local terms energy: -286.791053
where:
bonds (distance) C4'-P energy: -54.309
bonds (distance) P-C4' energy: -55.302
flat angles C4'-P-C4' energy: -56.602
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -73.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -871.954896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.954896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.954896 (E_RNA)
where:
Base-Base interactions energy: -600.455
where: short stacking energy: -255.341
Base-Backbone interact. energy: 0.088
local terms energy: -271.587720
where:
bonds (distance) C4'-P energy: -50.786
bonds (distance) P-C4' energy: -58.059
flat angles C4'-P-C4' energy: -60.937
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -57.499
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: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -809.582382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.582382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.582382 (E_RNA)
where:
Base-Base interactions energy: -554.629
where: short stacking energy: -232.234
Base-Backbone interact. energy: -2.242
local terms energy: -252.711356
where:
bonds (distance) C4'-P energy: -53.494
bonds (distance) P-C4' energy: -36.818
flat angles C4'-P-C4' energy: -60.337
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -64.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -668.734292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.734292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.734292 (E_RNA)
where:
Base-Base interactions energy: -436.615
where: short stacking energy: -191.885
Base-Backbone interact. energy: -1.469
local terms energy: -230.649595
where:
bonds (distance) C4'-P energy: -63.098
bonds (distance) P-C4' energy: -48.268
flat angles C4'-P-C4' energy: -48.387
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -37.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -543.923816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.923816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.923816 (E_RNA)
where:
Base-Base interactions energy: -322.305
where: short stacking energy: -160.208
Base-Backbone interact. energy: 1.791
local terms energy: -223.410648
where:
bonds (distance) C4'-P energy: -48.632
bonds (distance) P-C4' energy: -52.727
flat angles C4'-P-C4' energy: -57.048
flat angles P-C4'-P energy: -41.554
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -397.064955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.064955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.064955 (E_RNA)
where:
Base-Base interactions energy: -227.459
where: short stacking energy: -128.302
Base-Backbone interact. energy: -0.126
local terms energy: -169.480139
where:
bonds (distance) C4'-P energy: -43.609
bonds (distance) P-C4' energy: -53.994
flat angles C4'-P-C4' energy: -41.157
flat angles P-C4'-P energy: -21.751
tors. eta vs tors. theta energy: -8.969
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1053.507419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.507419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.507419 (E_RNA)
where:
Base-Base interactions energy: -733.773
where: short stacking energy: -308.642
Base-Backbone interact. energy: -3.272
local terms energy: -316.462138
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -45.370
tors. eta vs tors. theta energy: -88.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1050.338322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.338322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.338322 (E_RNA)
where:
Base-Base interactions energy: -742.470
where: short stacking energy: -313.335
Base-Backbone interact. energy: 2.171
local terms energy: -310.039300
where:
bonds (distance) C4'-P energy: -56.550
bonds (distance) P-C4' energy: -53.132
flat angles C4'-P-C4' energy: -70.723
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -82.659
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: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1015.696567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.696567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.696567 (E_RNA)
where:
Base-Base interactions energy: -713.985
where: short stacking energy: -291.716
Base-Backbone interact. energy: -0.854
local terms energy: -300.857314
where:
bonds (distance) C4'-P energy: -62.365
bonds (distance) P-C4' energy: -49.538
flat angles C4'-P-C4' energy: -70.214
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -76.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -947.035074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.035074 (E_RNA)
where:
Base-Base interactions energy: -661.452
where: short stacking energy: -274.817
Base-Backbone interact. energy: -2.257
local terms energy: -283.326107
where:
bonds (distance) C4'-P energy: -48.291
bonds (distance) P-C4' energy: -62.226
flat angles C4'-P-C4' energy: -64.356
flat angles P-C4'-P energy: -43.675
tors. eta vs tors. theta energy: -64.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -907.739631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.739631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.739631 (E_RNA)
where:
Base-Base interactions energy: -613.799
where: short stacking energy: -276.646
Base-Backbone interact. energy: -1.702
local terms energy: -292.239173
where:
bonds (distance) C4'-P energy: -61.188
bonds (distance) P-C4' energy: -57.468
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -37.134
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: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -843.154760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.154760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.154760 (E_RNA)
where:
Base-Base interactions energy: -592.838
where: short stacking energy: -243.685
Base-Backbone interact. energy: -4.268
local terms energy: -246.048965
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -43.714
flat angles C4'-P-C4' energy: -50.692
flat angles P-C4'-P energy: -36.326
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: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -850.244099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.244099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.244099 (E_RNA)
where:
Base-Base interactions energy: -578.208
where: short stacking energy: -243.938
Base-Backbone interact. energy: -0.436
local terms energy: -271.600546
where:
bonds (distance) C4'-P energy: -55.107
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -59.711
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: 103
Temperature: 1.250000
Total energy: -665.544002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.544002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.544002 (E_RNA)
where:
Base-Base interactions energy: -417.818
where: short stacking energy: -198.926
Base-Backbone interact. energy: 0.303
local terms energy: -248.029486
where:
bonds (distance) C4'-P energy: -53.101
bonds (distance) P-C4' energy: -54.677
flat angles C4'-P-C4' energy: -54.200
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -45.637
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: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -538.989061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.989061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.989061 (E_RNA)
where:
Base-Base interactions energy: -335.208
where: short stacking energy: -154.682
Base-Backbone interact. energy: 4.480
local terms energy: -208.261005
where:
bonds (distance) C4'-P energy: -56.593
bonds (distance) P-C4' energy: -52.252
flat angles C4'-P-C4' energy: -43.712
flat angles P-C4'-P energy: -26.775
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -423.020827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.020827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.020827 (E_RNA)
where:
Base-Base interactions energy: -224.149
where: short stacking energy: -111.371
Base-Backbone interact. energy: -0.164
local terms energy: -198.707490
where:
bonds (distance) C4'-P energy: -53.839
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -39.306
flat angles P-C4'-P energy: -34.970
tors. eta vs tors. theta energy: -6.516
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: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1083.579058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.579058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.579058 (E_RNA)
where:
Base-Base interactions energy: -751.899
where: short stacking energy: -326.307
Base-Backbone interact. energy: -2.143
local terms energy: -329.537064
where:
bonds (distance) C4'-P energy: -65.781
bonds (distance) P-C4' energy: -63.165
flat angles C4'-P-C4' energy: -66.757
flat angles P-C4'-P energy: -43.881
tors. eta vs tors. theta energy: -89.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1049.433992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.433992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.433992 (E_RNA)
where:
Base-Base interactions energy: -747.907
where: short stacking energy: -307.512
Base-Backbone interact. energy: -2.592
local terms energy: -298.935002
where:
bonds (distance) C4'-P energy: -49.199
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -64.376
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: -84.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1031.823555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.823555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.823555 (E_RNA)
where:
Base-Base interactions energy: -721.835
where: short stacking energy: -305.336
Base-Backbone interact. energy: -0.738
local terms energy: -309.250594
where:
bonds (distance) C4'-P energy: -54.229
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -69.756
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -88.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -942.737835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.737835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.737835 (E_RNA)
where:
Base-Base interactions energy: -660.016
where: short stacking energy: -263.099
Base-Backbone interact. energy: 2.999
local terms energy: -285.720389
where:
bonds (distance) C4'-P energy: -57.529
bonds (distance) P-C4' energy: -55.811
flat angles C4'-P-C4' energy: -60.858
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: -69.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -917.460096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.460096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.460096 (E_RNA)
where:
Base-Base interactions energy: -615.033
where: short stacking energy: -260.800
Base-Backbone interact. energy: -1.941
local terms energy: -300.486364
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -60.139
flat angles C4'-P-C4' energy: -53.691
flat angles P-C4'-P energy: -47.996
tors. eta vs tors. theta energy: -78.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -873.943486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.943486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.943486 (E_RNA)
where:
Base-Base interactions energy: -596.240
where: short stacking energy: -261.840
Base-Backbone interact. energy: 4.652
local terms energy: -282.355887
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -55.932
flat angles C4'-P-C4' energy: -65.575
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -63.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -817.094812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.094812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.094812 (E_RNA)
where:
Base-Base interactions energy: -552.557
where: short stacking energy: -234.408
Base-Backbone interact. energy: -0.673
local terms energy: -263.864265
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -60.923
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: -60.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -674.230710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.230710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.230710 (E_RNA)
where:
Base-Base interactions energy: -442.710
where: short stacking energy: -211.995
Base-Backbone interact. energy: -0.313
local terms energy: -231.208052
where:
bonds (distance) C4'-P energy: -46.143
bonds (distance) P-C4' energy: -59.874
flat angles C4'-P-C4' energy: -53.030
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -51.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -588.660368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.660368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.660368 (E_RNA)
where:
Base-Base interactions energy: -369.745
where: short stacking energy: -177.502
Base-Backbone interact. energy: -1.449
local terms energy: -217.466646
where:
bonds (distance) C4'-P energy: -46.721
bonds (distance) P-C4' energy: -53.350
flat angles C4'-P-C4' energy: -46.608
flat angles P-C4'-P energy: -32.888
tors. eta vs tors. theta energy: -37.900
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: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -462.749407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.749407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.749407 (E_RNA)
where:
Base-Base interactions energy: -274.680
where: short stacking energy: -151.398
Base-Backbone interact. energy: -0.821
local terms energy: -187.247805
where:
bonds (distance) C4'-P energy: -39.885
bonds (distance) P-C4' energy: -50.248
flat angles C4'-P-C4' energy: -46.328
flat angles P-C4'-P energy: -25.219
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1067.146201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.146201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.146201 (E_RNA)
where:
Base-Base interactions energy: -754.410
where: short stacking energy: -342.637
Base-Backbone interact. energy: -0.178
local terms energy: -312.558122
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -60.475
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -87.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1062.647586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.647586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.647586 (E_RNA)
where:
Base-Base interactions energy: -751.133
where: short stacking energy: -315.707
Base-Backbone interact. energy: -1.771
local terms energy: -309.743728
where:
bonds (distance) C4'-P energy: -62.030
bonds (distance) P-C4' energy: -55.052
flat angles C4'-P-C4' energy: -66.768
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: -88.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -999.721194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.721194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.721194 (E_RNA)
where:
Base-Base interactions energy: -712.300
where: short stacking energy: -294.377
Base-Backbone interact. energy: -0.210
local terms energy: -287.211382
where:
bonds (distance) C4'-P energy: -47.219
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -79.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -958.591726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.591726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.591726 (E_RNA)
where:
Base-Base interactions energy: -657.959
where: short stacking energy: -279.449
Base-Backbone interact. energy: 1.558
local terms energy: -302.190495
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -65.892
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -42.047
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: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -908.394999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.394999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.394999 (E_RNA)
where:
Base-Base interactions energy: -619.558
where: short stacking energy: -277.895
Base-Backbone interact. energy: -0.989
local terms energy: -287.848321
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -49.266
flat angles C4'-P-C4' energy: -59.370
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: -78.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -863.964960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.964960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.964960 (E_RNA)
where:
Base-Base interactions energy: -604.534
where: short stacking energy: -267.600
Base-Backbone interact. energy: -1.655
local terms energy: -257.776523
where:
bonds (distance) C4'-P energy: -49.446
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -50.876
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: -62.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -842.102977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.102977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.102977 (E_RNA)
where:
Base-Base interactions energy: -574.284
where: short stacking energy: -247.188
Base-Backbone interact. energy: -2.014
local terms energy: -265.805165
where:
bonds (distance) C4'-P energy: -58.607
bonds (distance) P-C4' energy: -43.353
flat angles C4'-P-C4' energy: -64.242
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -63.024
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: 9
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -685.767392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.767392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.767392 (E_RNA)
where:
Base-Base interactions energy: -461.365
where: short stacking energy: -196.446
Base-Backbone interact. energy: 1.798
local terms energy: -226.199537
where:
bonds (distance) C4'-P energy: -52.224
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -35.324
tors. eta vs tors. theta energy: -37.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -555.873635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.873635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.873635 (E_RNA)
where:
Base-Base interactions energy: -349.389
where: short stacking energy: -172.634
Base-Backbone interact. energy: 0.568
local terms energy: -207.053607
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -46.740
flat angles P-C4'-P energy: -21.286
tors. eta vs tors. theta energy: -37.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -455.567414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.567414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.567414 (E_RNA)
where:
Base-Base interactions energy: -276.608
where: short stacking energy: -123.306
Base-Backbone interact. energy: -1.323
local terms energy: -177.636026
where:
bonds (distance) C4'-P energy: -50.102
bonds (distance) P-C4' energy: -44.183
flat angles C4'-P-C4' energy: -44.598
flat angles P-C4'-P energy: -23.236
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1074.920525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.920525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.920525 (E_RNA)
where:
Base-Base interactions energy: -745.987
where: short stacking energy: -311.351
Base-Backbone interact. energy: -0.454
local terms energy: -328.479419
where:
bonds (distance) C4'-P energy: -61.542
bonds (distance) P-C4' energy: -64.871
flat angles C4'-P-C4' energy: -66.870
flat angles P-C4'-P energy: -49.276
tors. eta vs tors. theta energy: -85.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1042.510385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.510385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.510385 (E_RNA)
where:
Base-Base interactions energy: -735.881
where: short stacking energy: -318.508
Base-Backbone interact. energy: -2.184
local terms energy: -304.445089
where:
bonds (distance) C4'-P energy: -61.818
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -63.235
flat angles P-C4'-P energy: -38.135
tors. eta vs tors. theta energy: -90.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1009.029267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.029267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.029267 (E_RNA)
where:
Base-Base interactions energy: -710.816
where: short stacking energy: -291.999
Base-Backbone interact. energy: -0.550
local terms energy: -297.663627
where:
bonds (distance) C4'-P energy: -49.647
bonds (distance) P-C4' energy: -64.621
flat angles C4'-P-C4' energy: -64.166
flat angles P-C4'-P energy: -41.804
tors. eta vs tors. theta energy: -77.425
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: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -969.194144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.194144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.194144 (E_RNA)
where:
Base-Base interactions energy: -671.797
where: short stacking energy: -280.761
Base-Backbone interact. energy: -0.704
local terms energy: -296.692436
where:
bonds (distance) C4'-P energy: -62.919
bonds (distance) P-C4' energy: -57.600
flat angles C4'-P-C4' energy: -67.399
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -65.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -869.392967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.392967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.392967 (E_RNA)
where:
Base-Base interactions energy: -610.446
where: short stacking energy: -256.421
Base-Backbone interact. energy: 0.583
local terms energy: -259.530149
where:
bonds (distance) C4'-P energy: -50.817
bonds (distance) P-C4' energy: -48.901
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -40.184
tors. eta vs tors. theta energy: -64.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -848.932922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.932922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.932922 (E_RNA)
where:
Base-Base interactions energy: -574.376
where: short stacking energy: -242.749
Base-Backbone interact. energy: 0.843
local terms energy: -275.400601
where:
bonds (distance) C4'-P energy: -47.605
bonds (distance) P-C4' energy: -64.345
flat angles C4'-P-C4' energy: -60.154
flat angles P-C4'-P energy: -35.572
tors. eta vs tors. theta energy: -67.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -852.344336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.344336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.344336 (E_RNA)
where:
Base-Base interactions energy: -581.751
where: short stacking energy: -235.134
Base-Backbone interact. energy: -0.787
local terms energy: -269.806776
where:
bonds (distance) C4'-P energy: -44.929
bonds (distance) P-C4' energy: -53.091
flat angles C4'-P-C4' energy: -52.827
flat angles P-C4'-P energy: -44.136
tors. eta vs tors. theta energy: -74.824
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: 9
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -686.692903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.692903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.692903 (E_RNA)
where:
Base-Base interactions energy: -447.210
where: short stacking energy: -191.538
Base-Backbone interact. energy: 0.957
local terms energy: -240.439647
where:
bonds (distance) C4'-P energy: -46.808
bonds (distance) P-C4' energy: -52.504
flat angles C4'-P-C4' energy: -63.002
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -581.789297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.789297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.789297 (E_RNA)
where:
Base-Base interactions energy: -362.123
where: short stacking energy: -177.360
Base-Backbone interact. energy: 2.027
local terms energy: -221.693778
where:
bonds (distance) C4'-P energy: -40.591
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -53.395
flat angles P-C4'-P energy: -28.890
tors. eta vs tors. theta energy: -42.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -488.861190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.861190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.861190 (E_RNA)
where:
Base-Base interactions energy: -307.767
where: short stacking energy: -131.969
Base-Backbone interact. energy: 1.284
local terms energy: -182.377765
where:
bonds (distance) C4'-P energy: -46.384
bonds (distance) P-C4' energy: -47.373
flat angles C4'-P-C4' energy: -46.511
flat angles P-C4'-P energy: -19.954
tors. eta vs tors. theta energy: -22.155
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: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1084.481388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.481388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.481388 (E_RNA)
where:
Base-Base interactions energy: -767.582
where: short stacking energy: -344.494
Base-Backbone interact. energy: -0.254
local terms energy: -316.645515
where:
bonds (distance) C4'-P energy: -55.474
bonds (distance) P-C4' energy: -50.442
flat angles C4'-P-C4' energy: -69.827
flat angles P-C4'-P energy: -45.083
tors. eta vs tors. theta energy: -95.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1050.925224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.925224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.925224 (E_RNA)
where:
Base-Base interactions energy: -731.236
where: short stacking energy: -298.690
Base-Backbone interact. energy: -1.125
local terms energy: -318.563908
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -56.400
flat angles C4'-P-C4' energy: -67.327
flat angles P-C4'-P energy: -44.859
tors. eta vs tors. theta energy: -88.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -979.309445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.309445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.309445 (E_RNA)
where:
Base-Base interactions energy: -698.306
where: short stacking energy: -275.941
Base-Backbone interact. energy: -0.878
local terms energy: -280.125241
where:
bonds (distance) C4'-P energy: -58.391
bonds (distance) P-C4' energy: -55.381
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -38.066
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: 4, replica: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -950.094553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.094553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.094553 (E_RNA)
where:
Base-Base interactions energy: -649.675
where: short stacking energy: -278.816
Base-Backbone interact. energy: -0.032
local terms energy: -300.387479
where:
bonds (distance) C4'-P energy: -56.473
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -69.033
flat angles P-C4'-P energy: -46.578
tors. eta vs tors. theta energy: -67.342
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: 107
Temperature: 1.100000
Total energy: -888.368323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.368323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.368323 (E_RNA)
where:
Base-Base interactions energy: -596.808
where: short stacking energy: -276.702
Base-Backbone interact. energy: -0.571
local terms energy: -290.988896
where:
bonds (distance) C4'-P energy: -46.770
bonds (distance) P-C4' energy: -57.048
flat angles C4'-P-C4' energy: -59.962
flat angles P-C4'-P energy: -49.958
tors. eta vs tors. theta energy: -77.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -844.897461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.897461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.897461 (E_RNA)
where:
Base-Base interactions energy: -597.850
where: short stacking energy: -252.118
Base-Backbone interact. energy: -0.005
local terms energy: -247.042230
where:
bonds (distance) C4'-P energy: -57.228
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -59.261
flat angles P-C4'-P energy: -31.738
tors. eta vs tors. theta energy: -59.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -841.916482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.916482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.916482 (E_RNA)
where:
Base-Base interactions energy: -578.179
where: short stacking energy: -238.470
Base-Backbone interact. energy: 2.554
local terms energy: -266.290767
where:
bonds (distance) C4'-P energy: -50.662
bonds (distance) P-C4' energy: -57.885
flat angles C4'-P-C4' energy: -58.094
flat angles P-C4'-P energy: -43.214
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: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -687.341850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.341850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.341850 (E_RNA)
where:
Base-Base interactions energy: -442.925
where: short stacking energy: -194.358
Base-Backbone interact. energy: -1.099
local terms energy: -243.318065
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -58.974
flat angles C4'-P-C4' energy: -60.407
flat angles P-C4'-P energy: -32.678
tors. eta vs tors. theta energy: -46.262
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: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -556.957058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.957058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.957058 (E_RNA)
where:
Base-Base interactions energy: -353.434
where: short stacking energy: -171.143
Base-Backbone interact. energy: -1.334
local terms energy: -202.188470
where:
bonds (distance) C4'-P energy: -50.725
bonds (distance) P-C4' energy: -40.480
flat angles C4'-P-C4' energy: -54.103
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -27.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -477.657673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.657673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.657673 (E_RNA)
where:
Base-Base interactions energy: -291.742
where: short stacking energy: -152.920
Base-Backbone interact. energy: -3.274
local terms energy: -182.641793
where:
bonds (distance) C4'-P energy: -38.826
bonds (distance) P-C4' energy: -46.840
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -31.115
tors. eta vs tors. theta energy: -19.996
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: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1071.202590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.202590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.202590 (E_RNA)
where:
Base-Base interactions energy: -742.245
where: short stacking energy: -319.375
Base-Backbone interact. energy: -1.210
local terms energy: -327.747610
where:
bonds (distance) C4'-P energy: -61.318
bonds (distance) P-C4' energy: -60.588
flat angles C4'-P-C4' energy: -66.482
flat angles P-C4'-P energy: -46.473
tors. eta vs tors. theta energy: -92.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1054.547735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.547735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.547735 (E_RNA)
where:
Base-Base interactions energy: -725.727
where: short stacking energy: -317.820
Base-Backbone interact. energy: -1.405
local terms energy: -327.415588
where:
bonds (distance) C4'-P energy: -53.498
bonds (distance) P-C4' energy: -66.724
flat angles C4'-P-C4' energy: -66.779
flat angles P-C4'-P energy: -43.640
tors. eta vs tors. theta energy: -96.774
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: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1000.765407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.765407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.765407 (E_RNA)
where:
Base-Base interactions energy: -700.218
where: short stacking energy: -296.305
Base-Backbone interact. energy: -0.382
local terms energy: -300.166034
where:
bonds (distance) C4'-P energy: -52.122
bonds (distance) P-C4' energy: -56.831
flat angles C4'-P-C4' energy: -72.052
flat angles P-C4'-P energy: -39.796
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: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -958.914660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.914660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.914660 (E_RNA)
where:
Base-Base interactions energy: -660.819
where: short stacking energy: -296.167
Base-Backbone interact. energy: -0.697
local terms energy: -297.398955
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -62.892
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -38.891
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: 5, replica: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -921.138550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.138550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.138550 (E_RNA)
where:
Base-Base interactions energy: -608.255
where: short stacking energy: -277.905
Base-Backbone interact. energy: -2.433
local terms energy: -310.451000
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -66.292
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -82.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -856.033543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.033543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.033543 (E_RNA)
where:
Base-Base interactions energy: -587.751
where: short stacking energy: -249.359
Base-Backbone interact. energy: -0.699
local terms energy: -267.583773
where:
bonds (distance) C4'-P energy: -54.867
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -63.235
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: 1
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -828.247626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.247626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.247626 (E_RNA)
where:
Base-Base interactions energy: -565.881
where: short stacking energy: -243.817
Base-Backbone interact. energy: 0.125
local terms energy: -262.492004
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -54.343
flat angles P-C4'-P energy: -37.005
tors. eta vs tors. theta energy: -65.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -691.994190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.994190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.994190 (E_RNA)
where:
Base-Base interactions energy: -455.625
where: short stacking energy: -203.948
Base-Backbone interact. energy: -1.341
local terms energy: -235.027260
where:
bonds (distance) C4'-P energy: -52.952
bonds (distance) P-C4' energy: -57.138
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -27.986
tors. eta vs tors. theta energy: -44.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -554.763161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.763161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.763161 (E_RNA)
where:
Base-Base interactions energy: -355.666
where: short stacking energy: -173.867
Base-Backbone interact. energy: 1.430
local terms energy: -200.526969
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -48.565
flat angles C4'-P-C4' energy: -45.243
flat angles P-C4'-P energy: -27.502
tors. eta vs tors. theta energy: -28.328
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -468.938600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.938600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.938600 (E_RNA)
where:
Base-Base interactions energy: -265.761
where: short stacking energy: -138.893
Base-Backbone interact. energy: 0.411
local terms energy: -203.589067
where:
bonds (distance) C4'-P energy: -52.418
bonds (distance) P-C4' energy: -56.109
flat angles C4'-P-C4' energy: -44.842
flat angles P-C4'-P energy: -25.679
tors. eta vs tors. theta energy: -24.542
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1061.133402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.133402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.133402 (E_RNA)
where:
Base-Base interactions energy: -743.813
where: short stacking energy: -323.381
Base-Backbone interact. energy: -1.942
local terms energy: -315.379045
where:
bonds (distance) C4'-P energy: -54.036
bonds (distance) P-C4' energy: -56.538
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -44.981
tors. eta vs tors. theta energy: -88.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1061.369157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.369157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.369157 (E_RNA)
where:
Base-Base interactions energy: -716.086
where: short stacking energy: -326.283
Base-Backbone interact. energy: -1.182
local terms energy: -344.100398
where:
bonds (distance) C4'-P energy: -58.256
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -70.582
flat angles P-C4'-P energy: -51.066
tors. eta vs tors. theta energy: -100.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1023.048451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.048451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.048451 (E_RNA)
where:
Base-Base interactions energy: -698.898
where: short stacking energy: -303.592
Base-Backbone interact. energy: 0.228
local terms energy: -324.378767
where:
bonds (distance) C4'-P energy: -60.465
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -74.325
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -85.422
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: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -961.016569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.016569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.016569 (E_RNA)
where:
Base-Base interactions energy: -642.279
where: short stacking energy: -269.180
Base-Backbone interact. energy: -2.051
local terms energy: -316.686876
where:
bonds (distance) C4'-P energy: -58.467
bonds (distance) P-C4' energy: -63.270
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -49.471
tors. eta vs tors. theta energy: -79.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -891.489765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.489765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.489765 (E_RNA)
where:
Base-Base interactions energy: -613.376
where: short stacking energy: -263.782
Base-Backbone interact. energy: -2.302
local terms energy: -275.811611
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -56.116
flat angles C4'-P-C4' energy: -61.663
flat angles P-C4'-P energy: -33.805
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -859.832463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.832463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.832463 (E_RNA)
where:
Base-Base interactions energy: -581.519
where: short stacking energy: -252.062
Base-Backbone interact. energy: -1.872
local terms energy: -276.441023
where:
bonds (distance) C4'-P energy: -56.438
bonds (distance) P-C4' energy: -60.322
flat angles C4'-P-C4' energy: -57.763
flat angles P-C4'-P energy: -38.423
tors. eta vs tors. theta energy: -63.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -852.798395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.798395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.798395 (E_RNA)
where:
Base-Base interactions energy: -592.681
where: short stacking energy: -253.918
Base-Backbone interact. energy: -1.166
local terms energy: -258.951438
where:
bonds (distance) C4'-P energy: -47.480
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -63.436
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -68.321
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: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -700.761722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.761722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.761722 (E_RNA)
where:
Base-Base interactions energy: -464.146
where: short stacking energy: -207.291
Base-Backbone interact. energy: -0.650
local terms energy: -235.965304
where:
bonds (distance) C4'-P energy: -45.153
bonds (distance) P-C4' energy: -51.963
flat angles C4'-P-C4' energy: -57.461
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -57.684
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: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -563.766465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.766465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.766465 (E_RNA)
where:
Base-Base interactions energy: -348.961
where: short stacking energy: -175.390
Base-Backbone interact. energy: -1.117
local terms energy: -213.688590
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -45.061
flat angles C4'-P-C4' energy: -54.607
flat angles P-C4'-P energy: -24.528
tors. eta vs tors. theta energy: -31.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -502.951915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.951915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.951915 (E_RNA)
where:
Base-Base interactions energy: -299.892
where: short stacking energy: -133.980
Base-Backbone interact. energy: -1.991
local terms energy: -201.069122
where:
bonds (distance) C4'-P energy: -54.685
bonds (distance) P-C4' energy: -60.020
flat angles C4'-P-C4' energy: -33.775
flat angles P-C4'-P energy: -33.405
tors. eta vs tors. theta energy: -19.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1072.125577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.125577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.125577 (E_RNA)
where:
Base-Base interactions energy: -750.639
where: short stacking energy: -347.129
Base-Backbone interact. energy: -0.623
local terms energy: -320.863572
where:
bonds (distance) C4'-P energy: -46.391
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -72.866
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -101.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1051.337669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.337669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.337669 (E_RNA)
where:
Base-Base interactions energy: -745.652
where: short stacking energy: -316.352
Base-Backbone interact. energy: -0.603
local terms energy: -305.082868
where:
bonds (distance) C4'-P energy: -53.272
bonds (distance) P-C4' energy: -54.594
flat angles C4'-P-C4' energy: -66.690
flat angles P-C4'-P energy: -37.077
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1003.721860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.721860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.721860 (E_RNA)
where:
Base-Base interactions energy: -691.145
where: short stacking energy: -306.087
Base-Backbone interact. energy: -0.345
local terms energy: -312.231990
where:
bonds (distance) C4'-P energy: -56.716
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -66.835
flat angles P-C4'-P energy: -44.498
tors. eta vs tors. theta energy: -82.812
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: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -996.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.337807 (E_RNA)
where:
Base-Base interactions energy: -709.162
where: short stacking energy: -300.926
Base-Backbone interact. energy: -0.896
local terms energy: -286.280329
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -50.755
flat angles C4'-P-C4' energy: -64.594
flat angles P-C4'-P energy: -30.318
tors. eta vs tors. theta energy: -86.270
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: 1
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -911.899004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.899004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.899004 (E_RNA)
where:
Base-Base interactions energy: -613.090
where: short stacking energy: -267.823
Base-Backbone interact. energy: 2.389
local terms energy: -301.197725
where:
bonds (distance) C4'-P energy: -55.730
bonds (distance) P-C4' energy: -57.529
flat angles C4'-P-C4' energy: -65.519
flat angles P-C4'-P energy: -44.589
tors. eta vs tors. theta energy: -77.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -909.417120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.417120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.417120 (E_RNA)
where:
Base-Base interactions energy: -623.603
where: short stacking energy: -278.675
Base-Backbone interact. energy: -0.343
local terms energy: -285.471363
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -43.735
flat angles C4'-P-C4' energy: -59.943
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -81.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -830.194132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.194132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.194132 (E_RNA)
where:
Base-Base interactions energy: -583.742
where: short stacking energy: -255.393
Base-Backbone interact. energy: 2.019
local terms energy: -248.471042
where:
bonds (distance) C4'-P energy: -50.265
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -21.836
tors. eta vs tors. theta energy: -61.772
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: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -708.644347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.644347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.644347 (E_RNA)
where:
Base-Base interactions energy: -477.954
where: short stacking energy: -210.942
Base-Backbone interact. energy: 0.838
local terms energy: -231.528076
where:
bonds (distance) C4'-P energy: -49.597
bonds (distance) P-C4' energy: -54.407
flat angles C4'-P-C4' energy: -43.771
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -35.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -554.367124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.367124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.367124 (E_RNA)
where:
Base-Base interactions energy: -328.688
where: short stacking energy: -165.985
Base-Backbone interact. energy: -0.733
local terms energy: -224.946082
where:
bonds (distance) C4'-P energy: -47.081
bonds (distance) P-C4' energy: -47.381
flat angles C4'-P-C4' energy: -54.216
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -34.182
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: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -471.405012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.405012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.405012 (E_RNA)
where:
Base-Base interactions energy: -288.519
where: short stacking energy: -147.758
Base-Backbone interact. energy: 0.759
local terms energy: -183.644955
where:
bonds (distance) C4'-P energy: -46.571
bonds (distance) P-C4' energy: -43.086
flat angles C4'-P-C4' energy: -46.924
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1086.507357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.507357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.507357 (E_RNA)
where:
Base-Base interactions energy: -734.362
where: short stacking energy: -329.167
Base-Backbone interact. energy: -1.426
local terms energy: -350.719434
where:
bonds (distance) C4'-P energy: -62.036
bonds (distance) P-C4' energy: -69.828
flat angles C4'-P-C4' energy: -74.948
flat angles P-C4'-P energy: -48.259
tors. eta vs tors. theta energy: -95.648
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: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1049.404243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.404243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.404243 (E_RNA)
where:
Base-Base interactions energy: -739.689
where: short stacking energy: -320.878
Base-Backbone interact. energy: -0.769
local terms energy: -308.946252
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -54.082
flat angles C4'-P-C4' energy: -62.936
flat angles P-C4'-P energy: -46.033
tors. eta vs tors. theta energy: -88.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1009.380366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.380366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.380366 (E_RNA)
where:
Base-Base interactions energy: -695.666
where: short stacking energy: -301.340
Base-Backbone interact. energy: 0.863
local terms energy: -314.577199
where:
bonds (distance) C4'-P energy: -52.381
bonds (distance) P-C4' energy: -59.748
flat angles C4'-P-C4' energy: -69.283
flat angles P-C4'-P energy: -47.930
tors. eta vs tors. theta energy: -85.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -997.609164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.609164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.609164 (E_RNA)
where:
Base-Base interactions energy: -690.400
where: short stacking energy: -299.124
Base-Backbone interact. energy: -0.392
local terms energy: -306.817416
where:
bonds (distance) C4'-P energy: -66.753
bonds (distance) P-C4' energy: -58.982
flat angles C4'-P-C4' energy: -62.210
flat angles P-C4'-P energy: -37.792
tors. eta vs tors. theta energy: -81.080
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: 1
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -914.599086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.599086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.599086 (E_RNA)
where:
Base-Base interactions energy: -621.851
where: short stacking energy: -267.991
Base-Backbone interact. energy: -1.431
local terms energy: -291.317137
where:
bonds (distance) C4'-P energy: -58.682
bonds (distance) P-C4' energy: -63.761
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -32.769
tors. eta vs tors. theta energy: -76.212
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: 111
Temperature: 1.150000
Total energy: -866.490530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.490530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.490530 (E_RNA)
where:
Base-Base interactions energy: -594.654
where: short stacking energy: -269.332
Base-Backbone interact. energy: -1.345
local terms energy: -270.491654
where:
bonds (distance) C4'-P energy: -43.691
bonds (distance) P-C4' energy: -59.505
flat angles C4'-P-C4' energy: -53.967
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -75.053
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: 111
Temperature: 1.200000
Total energy: -772.298924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.298924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.298924 (E_RNA)
where:
Base-Base interactions energy: -521.218
where: short stacking energy: -225.188
Base-Backbone interact. energy: 1.136
local terms energy: -252.216470
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -32.644
tors. eta vs tors. theta energy: -52.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -737.215177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.215177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.215177 (E_RNA)
where:
Base-Base interactions energy: -495.627
where: short stacking energy: -209.508
Base-Backbone interact. energy: -1.204
local terms energy: -240.384283
where:
bonds (distance) C4'-P energy: -57.096
bonds (distance) P-C4' energy: -47.719
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -37.719
tors. eta vs tors. theta energy: -41.792
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: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -564.072620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.072620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.072620 (E_RNA)
where:
Base-Base interactions energy: -343.815
where: short stacking energy: -154.988
Base-Backbone interact. energy: 1.289
local terms energy: -221.546454
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -66.996
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -31.231
tors. eta vs tors. theta energy: -27.671
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: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -497.391485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.391485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.391485 (E_RNA)
where:
Base-Base interactions energy: -301.507
where: short stacking energy: -135.034
Base-Backbone interact. energy: -2.137
local terms energy: -193.747319
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -40.773
flat angles C4'-P-C4' energy: -43.163
flat angles P-C4'-P energy: -26.622
tors. eta vs tors. theta energy: -31.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1088.911268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.911268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.911268 (E_RNA)
where:
Base-Base interactions energy: -760.860
where: short stacking energy: -336.181
Base-Backbone interact. energy: 2.105
local terms energy: -330.156518
where:
bonds (distance) C4'-P energy: -57.097
bonds (distance) P-C4' energy: -57.904
flat angles C4'-P-C4' energy: -67.689
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -100.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1035.236544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.236544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.236544 (E_RNA)
where:
Base-Base interactions energy: -717.615
where: short stacking energy: -307.333
Base-Backbone interact. energy: 0.745
local terms energy: -318.367397
where:
bonds (distance) C4'-P energy: -71.290
bonds (distance) P-C4' energy: -52.415
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -83.159
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: 112
Temperature: 1.000000
Total energy: -986.513170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.513170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.513170 (E_RNA)
where:
Base-Base interactions energy: -689.536
where: short stacking energy: -280.236
Base-Backbone interact. energy: -1.245
local terms energy: -295.732272
where:
bonds (distance) C4'-P energy: -40.562
bonds (distance) P-C4' energy: -61.490
flat angles C4'-P-C4' energy: -66.072
flat angles P-C4'-P energy: -45.409
tors. eta vs tors. theta energy: -82.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -998.559628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.559628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.559628 (E_RNA)
where:
Base-Base interactions energy: -675.301
where: short stacking energy: -298.546
Base-Backbone interact. energy: 0.329
local terms energy: -323.587414
where:
bonds (distance) C4'-P energy: -64.393
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -47.084
tors. eta vs tors. theta energy: -88.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -903.297212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.297212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.297212 (E_RNA)
where:
Base-Base interactions energy: -611.220
where: short stacking energy: -279.255
Base-Backbone interact. energy: -1.483
local terms energy: -290.594211
where:
bonds (distance) C4'-P energy: -56.260
bonds (distance) P-C4' energy: -52.659
flat angles C4'-P-C4' energy: -69.311
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -73.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -877.453346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.453346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.453346 (E_RNA)
where:
Base-Base interactions energy: -611.384
where: short stacking energy: -268.100
Base-Backbone interact. energy: -1.051
local terms energy: -265.018369
where:
bonds (distance) C4'-P energy: -46.264
bonds (distance) P-C4' energy: -55.407
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -63.397
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: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -744.162860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.162860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.162860 (E_RNA)
where:
Base-Base interactions energy: -518.494
where: short stacking energy: -225.064
Base-Backbone interact. energy: -0.958
local terms energy: -224.710426
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -41.015
flat angles C4'-P-C4' energy: -60.295
flat angles P-C4'-P energy: -29.166
tors. eta vs tors. theta energy: -50.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -735.644279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.644279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.644279 (E_RNA)
where:
Base-Base interactions energy: -497.551
where: short stacking energy: -214.429
Base-Backbone interact. energy: -0.036
local terms energy: -238.057085
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -48.955
flat angles C4'-P-C4' energy: -55.876
flat angles P-C4'-P energy: -30.294
tors. eta vs tors. theta energy: -55.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -619.089368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.089368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.089368 (E_RNA)
where:
Base-Base interactions energy: -382.078
where: short stacking energy: -201.604
Base-Backbone interact. energy: -0.682
local terms energy: -236.330100
where:
bonds (distance) C4'-P energy: -61.271
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -50.288
flat angles P-C4'-P energy: -22.855
tors. eta vs tors. theta energy: -54.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -507.127121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.127121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.127121 (E_RNA)
where:
Base-Base interactions energy: -321.079
where: short stacking energy: -150.184
Base-Backbone interact. energy: -0.545
local terms energy: -185.503170
where:
bonds (distance) C4'-P energy: -51.801
bonds (distance) P-C4' energy: -46.434
flat angles C4'-P-C4' energy: -33.609
flat angles P-C4'-P energy: -33.813
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1083.992074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.992074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.992074 (E_RNA)
where:
Base-Base interactions energy: -750.683
where: short stacking energy: -324.476
Base-Backbone interact. energy: -0.826
local terms energy: -332.483144
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -60.245
flat angles C4'-P-C4' energy: -69.509
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -94.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1039.151245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.151245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.151245 (E_RNA)
where:
Base-Base interactions energy: -721.647
where: short stacking energy: -302.905
Base-Backbone interact. energy: -1.238
local terms energy: -316.265640
where:
bonds (distance) C4'-P energy: -64.708
bonds (distance) P-C4' energy: -59.209
flat angles C4'-P-C4' energy: -68.019
flat angles P-C4'-P energy: -39.278
tors. eta vs tors. theta energy: -85.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1017.541317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.541317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.541317 (E_RNA)
where:
Base-Base interactions energy: -701.845
where: short stacking energy: -310.310
Base-Backbone interact. energy: 0.451
local terms energy: -316.148073
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -60.670
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -50.811
tors. eta vs tors. theta energy: -82.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -994.167019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.167019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.167019 (E_RNA)
where:
Base-Base interactions energy: -700.931
where: short stacking energy: -306.189
Base-Backbone interact. energy: 0.845
local terms energy: -294.081661
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -54.696
flat angles C4'-P-C4' energy: -63.630
flat angles P-C4'-P energy: -36.478
tors. eta vs tors. theta energy: -82.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -901.797024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.797024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.797024 (E_RNA)
where:
Base-Base interactions energy: -620.274
where: short stacking energy: -292.797
Base-Backbone interact. energy: -0.978
local terms energy: -280.545703
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -39.362
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -86.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -873.699218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.699218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.699218 (E_RNA)
where:
Base-Base interactions energy: -575.386
where: short stacking energy: -260.619
Base-Backbone interact. energy: -0.652
local terms energy: -297.660655
where:
bonds (distance) C4'-P energy: -55.022
bonds (distance) P-C4' energy: -55.789
flat angles C4'-P-C4' energy: -65.421
flat angles P-C4'-P energy: -40.898
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: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -725.793126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.793126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.793126 (E_RNA)
where:
Base-Base interactions energy: -479.148
where: short stacking energy: -224.338
Base-Backbone interact. energy: 1.636
local terms energy: -248.281808
where:
bonds (distance) C4'-P energy: -46.624
bonds (distance) P-C4' energy: -54.131
flat angles C4'-P-C4' energy: -57.002
flat angles P-C4'-P energy: -38.201
tors. eta vs tors. theta energy: -52.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -776.779716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.779716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.779716 (E_RNA)
where:
Base-Base interactions energy: -521.541
where: short stacking energy: -222.008
Base-Backbone interact. energy: -0.974
local terms energy: -254.264944
where:
bonds (distance) C4'-P energy: -44.779
bonds (distance) P-C4' energy: -58.488
flat angles C4'-P-C4' energy: -55.936
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -54.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -559.943579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.943579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.943579 (E_RNA)
where:
Base-Base interactions energy: -368.616
where: short stacking energy: -180.785
Base-Backbone interact. energy: -2.079
local terms energy: -189.248589
where:
bonds (distance) C4'-P energy: -41.634
bonds (distance) P-C4' energy: -58.734
flat angles C4'-P-C4' energy: -39.505
flat angles P-C4'-P energy: -21.749
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -546.705045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.705045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.705045 (E_RNA)
where:
Base-Base interactions energy: -318.135
where: short stacking energy: -164.914
Base-Backbone interact. energy: -0.702
local terms energy: -227.867563
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -60.631
flat angles C4'-P-C4' energy: -50.715
flat angles P-C4'-P energy: -26.472
tors. eta vs tors. theta energy: -39.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1086.617891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.617891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.617891 (E_RNA)
where:
Base-Base interactions energy: -765.138
where: short stacking energy: -322.785
Base-Backbone interact. energy: -1.493
local terms energy: -319.986917
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -67.339
flat angles C4'-P-C4' energy: -66.984
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -89.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1074.623008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.623008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.623008 (E_RNA)
where:
Base-Base interactions energy: -744.416
where: short stacking energy: -320.081
Base-Backbone interact. energy: -0.821
local terms energy: -329.385971
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -66.339
flat angles C4'-P-C4' energy: -65.507
flat angles P-C4'-P energy: -49.682
tors. eta vs tors. theta energy: -92.769
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: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1015.768878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.768878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.768878 (E_RNA)
where:
Base-Base interactions energy: -717.109
where: short stacking energy: -287.257
Base-Backbone interact. energy: -0.066
local terms energy: -298.593593
where:
bonds (distance) C4'-P energy: -47.156
bonds (distance) P-C4' energy: -56.937
flat angles C4'-P-C4' energy: -63.868
flat angles P-C4'-P energy: -40.875
tors. eta vs tors. theta energy: -89.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -995.988901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.988901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.988901 (E_RNA)
where:
Base-Base interactions energy: -696.733
where: short stacking energy: -305.141
Base-Backbone interact. energy: -1.027
local terms energy: -298.228434
where:
bonds (distance) C4'-P energy: -50.606
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -70.539
flat angles P-C4'-P energy: -34.054
tors. eta vs tors. theta energy: -84.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -909.859635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.859635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.859635 (E_RNA)
where:
Base-Base interactions energy: -599.914
where: short stacking energy: -277.711
Base-Backbone interact. energy: -1.334
local terms energy: -308.611604
where:
bonds (distance) C4'-P energy: -60.657
bonds (distance) P-C4' energy: -62.398
flat angles C4'-P-C4' energy: -64.369
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -76.548
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -914.410771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.410771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.410771 (E_RNA)
where:
Base-Base interactions energy: -630.280
where: short stacking energy: -258.204
Base-Backbone interact. energy: 1.219
local terms energy: -285.350007
where:
bonds (distance) C4'-P energy: -61.914
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -60.951
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -69.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -818.783701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.783701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.783701 (E_RNA)
where:
Base-Base interactions energy: -552.611
where: short stacking energy: -247.995
Base-Backbone interact. energy: -1.682
local terms energy: -264.491058
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -50.038
flat angles P-C4'-P energy: -41.801
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: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -717.298465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.298465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.298465 (E_RNA)
where:
Base-Base interactions energy: -466.682
where: short stacking energy: -214.004
Base-Backbone interact. energy: -1.918
local terms energy: -248.699173
where:
bonds (distance) C4'-P energy: -56.518
bonds (distance) P-C4' energy: -55.933
flat angles C4'-P-C4' energy: -53.647
flat angles P-C4'-P energy: -33.703
tors. eta vs tors. theta energy: -48.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -535.536685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.536685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.536685 (E_RNA)
where:
Base-Base interactions energy: -316.872
where: short stacking energy: -162.278
Base-Backbone interact. energy: 0.651
local terms energy: -219.315576
where:
bonds (distance) C4'-P energy: -51.419
bonds (distance) P-C4' energy: -56.766
flat angles C4'-P-C4' energy: -57.763
flat angles P-C4'-P energy: -30.999
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -578.288131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.288131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.288131 (E_RNA)
where:
Base-Base interactions energy: -374.423
where: short stacking energy: -172.088
Base-Backbone interact. energy: -0.786
local terms energy: -203.079732
where:
bonds (distance) C4'-P energy: -42.391
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -47.449
flat angles P-C4'-P energy: -24.877
tors. eta vs tors. theta energy: -37.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1093.145380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.145380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.145380 (E_RNA)
where:
Base-Base interactions energy: -780.321
where: short stacking energy: -338.902
Base-Backbone interact. energy: -0.560
local terms energy: -312.263816
where:
bonds (distance) C4'-P energy: -59.088
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -91.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1076.239856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.239856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.239856 (E_RNA)
where:
Base-Base interactions energy: -748.081
where: short stacking energy: -323.109
Base-Backbone interact. energy: -1.199
local terms energy: -326.959852
where:
bonds (distance) C4'-P energy: -65.287
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -49.896
tors. eta vs tors. theta energy: -86.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1004.700951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.700951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.700951 (E_RNA)
where:
Base-Base interactions energy: -709.576
where: short stacking energy: -286.923
Base-Backbone interact. energy: -0.195
local terms energy: -294.929607
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -54.302
flat angles C4'-P-C4' energy: -67.495
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -84.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1001.330040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.330040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.330040 (E_RNA)
where:
Base-Base interactions energy: -704.570
where: short stacking energy: -288.310
Base-Backbone interact. energy: -2.585
local terms energy: -294.174489
where:
bonds (distance) C4'-P energy: -57.520
bonds (distance) P-C4' energy: -54.954
flat angles C4'-P-C4' energy: -66.987
flat angles P-C4'-P energy: -37.804
tors. eta vs tors. theta energy: -76.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -903.714670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.714670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.714670 (E_RNA)
where:
Base-Base interactions energy: -601.177
where: short stacking energy: -280.997
Base-Backbone interact. energy: -2.100
local terms energy: -300.438587
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -68.859
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -83.268
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: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -935.146753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.146753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.146753 (E_RNA)
where:
Base-Base interactions energy: -657.485
where: short stacking energy: -277.236
Base-Backbone interact. energy: 1.174
local terms energy: -278.835848
where:
bonds (distance) C4'-P energy: -51.247
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -57.458
flat angles P-C4'-P energy: -37.941
tors. eta vs tors. theta energy: -79.107
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: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -825.766100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.766100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.766100 (E_RNA)
where:
Base-Base interactions energy: -568.424
where: short stacking energy: -241.600
Base-Backbone interact. energy: -1.246
local terms energy: -256.096137
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -53.171
flat angles C4'-P-C4' energy: -59.323
flat angles P-C4'-P energy: -37.957
tors. eta vs tors. theta energy: -50.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -727.523974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.523974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.523974 (E_RNA)
where:
Base-Base interactions energy: -483.212
where: short stacking energy: -198.702
Base-Backbone interact. energy: 1.143
local terms energy: -245.454789
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -55.170
flat angles C4'-P-C4' energy: -51.125
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -49.378
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: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -551.442717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.442717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.442717 (E_RNA)
where:
Base-Base interactions energy: -350.056
where: short stacking energy: -165.204
Base-Backbone interact. energy: 0.765
local terms energy: -202.151877
where:
bonds (distance) C4'-P energy: -43.592
bonds (distance) P-C4' energy: -51.500
flat angles C4'-P-C4' energy: -54.251
flat angles P-C4'-P energy: -29.773
tors. eta vs tors. theta energy: -23.036
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: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -553.381306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.381306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.381306 (E_RNA)
where:
Base-Base interactions energy: -347.006
where: short stacking energy: -157.406
Base-Backbone interact. energy: -1.565
local terms energy: -204.810318
where:
bonds (distance) C4'-P energy: -61.169
bonds (distance) P-C4' energy: -49.507
flat angles C4'-P-C4' energy: -56.629
flat angles P-C4'-P energy: -20.365
tors. eta vs tors. theta energy: -17.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1073.319903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.319903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.319903 (E_RNA)
where:
Base-Base interactions energy: -751.195
where: short stacking energy: -343.411
Base-Backbone interact. energy: -1.096
local terms energy: -321.028581
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -68.083
flat angles P-C4'-P energy: -48.362
tors. eta vs tors. theta energy: -90.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1058.285734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.285734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.285734 (E_RNA)
where:
Base-Base interactions energy: -733.609
where: short stacking energy: -317.325
Base-Backbone interact. energy: -0.600
local terms energy: -324.076076
where:
bonds (distance) C4'-P energy: -62.159
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -87.759
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: 116
Temperature: 1.000000
Total energy: -1029.704053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.704053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.704053 (E_RNA)
where:
Base-Base interactions energy: -721.635
where: short stacking energy: -312.420
Base-Backbone interact. energy: -1.653
local terms energy: -306.416053
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -92.666
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: 116
Temperature: 1.050000
Total energy: -988.167624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.167624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.167624 (E_RNA)
where:
Base-Base interactions energy: -686.017
where: short stacking energy: -292.264
Base-Backbone interact. energy: 2.764
local terms energy: -304.915172
where:
bonds (distance) C4'-P energy: -52.757
bonds (distance) P-C4' energy: -54.925
flat angles C4'-P-C4' energy: -66.328
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -84.233
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -980.063500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.063500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.063500 (E_RNA)
where:
Base-Base interactions energy: -679.187
where: short stacking energy: -287.696
Base-Backbone interact. energy: -0.997
local terms energy: -299.878757
where:
bonds (distance) C4'-P energy: -60.076
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -66.749
flat angles P-C4'-P energy: -45.769
tors. eta vs tors. theta energy: -75.672
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: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -822.674543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.674543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.674543 (E_RNA)
where:
Base-Base interactions energy: -558.333
where: short stacking energy: -239.168
Base-Backbone interact. energy: -3.957
local terms energy: -260.384399
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -54.574
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -41.728
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -786.976167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.976167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.976167 (E_RNA)
where:
Base-Base interactions energy: -540.930
where: short stacking energy: -241.178
Base-Backbone interact. energy: -0.602
local terms energy: -245.444212
where:
bonds (distance) C4'-P energy: -48.000
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -53.515
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -57.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -760.959928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.959928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.959928 (E_RNA)
where:
Base-Base interactions energy: -498.179
where: short stacking energy: -223.801
Base-Backbone interact. energy: -1.091
local terms energy: -261.690307
where:
bonds (distance) C4'-P energy: -50.201
bonds (distance) P-C4' energy: -56.331
flat angles C4'-P-C4' energy: -54.611
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -56.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -568.791039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.791039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.791039 (E_RNA)
where:
Base-Base interactions energy: -374.084
where: short stacking energy: -167.404
Base-Backbone interact. energy: 0.287
local terms energy: -194.994449
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -34.944
flat angles C4'-P-C4' energy: -41.968
flat angles P-C4'-P energy: -30.419
tors. eta vs tors. theta energy: -25.671
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: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -525.687079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.687079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.687079 (E_RNA)
where:
Base-Base interactions energy: -322.002
where: short stacking energy: -139.698
Base-Backbone interact. energy: -1.163
local terms energy: -202.521831
where:
bonds (distance) C4'-P energy: -58.715
bonds (distance) P-C4' energy: -49.250
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1078.811228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.811228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.811228 (E_RNA)
where:
Base-Base interactions energy: -747.474
where: short stacking energy: -335.044
Base-Backbone interact. energy: -1.128
local terms energy: -330.209898
where:
bonds (distance) C4'-P energy: -62.309
bonds (distance) P-C4' energy: -65.430
flat angles C4'-P-C4' energy: -71.136
flat angles P-C4'-P energy: -38.769
tors. eta vs tors. theta energy: -92.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1072.770548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.770548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.770548 (E_RNA)
where:
Base-Base interactions energy: -756.277
where: short stacking energy: -331.551
Base-Backbone interact. energy: -2.522
local terms energy: -313.972061
where:
bonds (distance) C4'-P energy: -50.669
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -64.975
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -93.872
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: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -998.476507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.476507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.476507 (E_RNA)
where:
Base-Base interactions energy: -700.793
where: short stacking energy: -275.317
Base-Backbone interact. energy: -0.265
local terms energy: -297.418729
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -55.166
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -78.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -997.027592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.027592 (E_RNA)
where:
Base-Base interactions energy: -704.836
where: short stacking energy: -285.900
Base-Backbone interact. energy: 0.573
local terms energy: -292.764538
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -63.389
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -82.217
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: 3
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -985.130379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.130379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.130379 (E_RNA)
where:
Base-Base interactions energy: -682.330
where: short stacking energy: -288.666
Base-Backbone interact. energy: -1.109
local terms energy: -301.690874
where:
bonds (distance) C4'-P energy: -59.303
bonds (distance) P-C4' energy: -57.267
flat angles C4'-P-C4' energy: -63.329
flat angles P-C4'-P energy: -38.792
tors. eta vs tors. theta energy: -83.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -863.393034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.393034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.393034 (E_RNA)
where:
Base-Base interactions energy: -599.826
where: short stacking energy: -264.390
Base-Backbone interact. energy: -1.198
local terms energy: -262.369228
where:
bonds (distance) C4'-P energy: -45.433
bonds (distance) P-C4' energy: -47.847
flat angles C4'-P-C4' energy: -56.934
flat angles P-C4'-P energy: -42.820
tors. eta vs tors. theta energy: -69.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -782.407387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.407387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.407387 (E_RNA)
where:
Base-Base interactions energy: -525.714
where: short stacking energy: -226.597
Base-Backbone interact. energy: 0.916
local terms energy: -257.609278
where:
bonds (distance) C4'-P energy: -42.164
bonds (distance) P-C4' energy: -66.586
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -33.441
tors. eta vs tors. theta energy: -52.642
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: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -734.330920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.330920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.330920 (E_RNA)
where:
Base-Base interactions energy: -476.559
where: short stacking energy: -222.938
Base-Backbone interact. energy: 2.584
local terms energy: -260.355851
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -58.031
flat angles C4'-P-C4' energy: -54.878
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: -56.422
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: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -532.204868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.204868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.204868 (E_RNA)
where:
Base-Base interactions energy: -329.362
where: short stacking energy: -161.055
Base-Backbone interact. energy: -1.309
local terms energy: -201.533330
where:
bonds (distance) C4'-P energy: -60.130
bonds (distance) P-C4' energy: -44.291
flat angles C4'-P-C4' energy: -47.557
flat angles P-C4'-P energy: -25.651
tors. eta vs tors. theta energy: -23.905
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: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -522.981076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.981076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.981076 (E_RNA)
where:
Base-Base interactions energy: -327.190
where: short stacking energy: -141.851
Base-Backbone interact. energy: 0.078
local terms energy: -195.868668
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -43.035
flat angles C4'-P-C4' energy: -57.559
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -20.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1077.494317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.494317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.494317 (E_RNA)
where:
Base-Base interactions energy: -750.105
where: short stacking energy: -321.771
Base-Backbone interact. energy: -1.917
local terms energy: -325.472146
where:
bonds (distance) C4'-P energy: -63.851
bonds (distance) P-C4' energy: -57.857
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: -89.967
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: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1057.803342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.803342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.803342 (E_RNA)
where:
Base-Base interactions energy: -737.058
where: short stacking energy: -316.117
Base-Backbone interact. energy: -1.544
local terms energy: -319.201758
where:
bonds (distance) C4'-P energy: -52.738
bonds (distance) P-C4' energy: -68.470
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -91.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1031.930032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.930032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.930032 (E_RNA)
where:
Base-Base interactions energy: -722.362
where: short stacking energy: -298.495
Base-Backbone interact. energy: -0.686
local terms energy: -308.881388
where:
bonds (distance) C4'-P energy: -57.351
bonds (distance) P-C4' energy: -48.842
flat angles C4'-P-C4' energy: -67.973
flat angles P-C4'-P energy: -52.193
tors. eta vs tors. theta energy: -82.522
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: 118
Temperature: 1.050000
Total energy: -982.284242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.284242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.284242 (E_RNA)
where:
Base-Base interactions energy: -702.336
where: short stacking energy: -279.477
Base-Backbone interact. energy: -0.698
local terms energy: -279.250482
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -47.224
tors. eta vs tors. theta energy: -70.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -987.456593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.456593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.456593 (E_RNA)
where:
Base-Base interactions energy: -701.646
where: short stacking energy: -291.768
Base-Backbone interact. energy: -0.504
local terms energy: -285.307263
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -63.025
flat angles P-C4'-P energy: -41.021
tors. eta vs tors. theta energy: -75.082
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: 6, replica: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -892.766419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.766419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.766419 (E_RNA)
where:
Base-Base interactions energy: -596.590
where: short stacking energy: -256.220
Base-Backbone interact. energy: -1.625
local terms energy: -294.551294
where:
bonds (distance) C4'-P energy: -53.483
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -49.698
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: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -812.518313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.518313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.518313 (E_RNA)
where:
Base-Base interactions energy: -557.481
where: short stacking energy: -242.146
Base-Backbone interact. energy: -2.463
local terms energy: -252.574744
where:
bonds (distance) C4'-P energy: -56.259
bonds (distance) P-C4' energy: -49.206
flat angles C4'-P-C4' energy: -57.635
flat angles P-C4'-P energy: -32.062
tors. eta vs tors. theta energy: -57.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -739.339021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.339021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.339021 (E_RNA)
where:
Base-Base interactions energy: -508.553
where: short stacking energy: -220.189
Base-Backbone interact. energy: -1.176
local terms energy: -229.610184
where:
bonds (distance) C4'-P energy: -46.715
bonds (distance) P-C4' energy: -38.132
flat angles C4'-P-C4' energy: -53.181
flat angles P-C4'-P energy: -33.040
tors. eta vs tors. theta energy: -58.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -558.624250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.624250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.624250 (E_RNA)
where:
Base-Base interactions energy: -333.412
where: short stacking energy: -153.397
Base-Backbone interact. energy: -2.738
local terms energy: -222.473641
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -52.664
flat angles C4'-P-C4' energy: -50.762
flat angles P-C4'-P energy: -35.797
tors. eta vs tors. theta energy: -31.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -449.020153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.020153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.020153 (E_RNA)
where:
Base-Base interactions energy: -254.334
where: short stacking energy: -127.267
Base-Backbone interact. energy: 3.213
local terms energy: -197.898984
where:
bonds (distance) C4'-P energy: -49.088
bonds (distance) P-C4' energy: -60.905
flat angles C4'-P-C4' energy: -47.072
flat angles P-C4'-P energy: -29.188
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: 6
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1094.962879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.962879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.962879 (E_RNA)
where:
Base-Base interactions energy: -766.943
where: short stacking energy: -341.692
Base-Backbone interact. energy: -0.124
local terms energy: -327.895203
where:
bonds (distance) C4'-P energy: -58.038
bonds (distance) P-C4' energy: -63.850
flat angles C4'-P-C4' energy: -71.009
flat angles P-C4'-P energy: -45.737
tors. eta vs tors. theta energy: -89.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1072.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.148823 (E_RNA)
where:
Base-Base interactions energy: -772.719
where: short stacking energy: -329.601
Base-Backbone interact. energy: 0.063
local terms energy: -299.492329
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -60.826
flat angles C4'-P-C4' energy: -68.348
flat angles P-C4'-P energy: -31.383
tors. eta vs tors. theta energy: -87.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1034.650440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.650440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.650440 (E_RNA)
where:
Base-Base interactions energy: -723.256
where: short stacking energy: -304.834
Base-Backbone interact. energy: -1.039
local terms energy: -310.355546
where:
bonds (distance) C4'-P energy: -61.238
bonds (distance) P-C4' energy: -60.080
flat angles C4'-P-C4' energy: -67.917
flat angles P-C4'-P energy: -40.383
tors. eta vs tors. theta energy: -80.738
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: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -978.334243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.334243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.334243 (E_RNA)
where:
Base-Base interactions energy: -676.270
where: short stacking energy: -282.741
Base-Backbone interact. energy: 0.390
local terms energy: -302.453496
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -42.772
tors. eta vs tors. theta energy: -79.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -987.027036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.027036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.027036 (E_RNA)
where:
Base-Base interactions energy: -692.748
where: short stacking energy: -283.093
Base-Backbone interact. energy: 0.139
local terms energy: -294.417742
where:
bonds (distance) C4'-P energy: -57.374
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -66.374
flat angles P-C4'-P energy: -48.058
tors. eta vs tors. theta energy: -73.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -854.594091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.594091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.594091 (E_RNA)
where:
Base-Base interactions energy: -593.523
where: short stacking energy: -259.494
Base-Backbone interact. energy: -0.826
local terms energy: -260.245487
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -56.484
flat angles C4'-P-C4' energy: -49.891
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -68.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -776.646321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.646321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.646321 (E_RNA)
where:
Base-Base interactions energy: -525.838
where: short stacking energy: -210.703
Base-Backbone interact. energy: -1.837
local terms energy: -248.971202
where:
bonds (distance) C4'-P energy: -48.527
bonds (distance) P-C4' energy: -50.942
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -27.849
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -689.686192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.686192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.686192 (E_RNA)
where:
Base-Base interactions energy: -452.244
where: short stacking energy: -195.662
Base-Backbone interact. energy: 0.310
local terms energy: -237.752964
where:
bonds (distance) C4'-P energy: -39.531
bonds (distance) P-C4' energy: -52.408
flat angles C4'-P-C4' energy: -56.449
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -46.672
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -645.034777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.034777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.034777 (E_RNA)
where:
Base-Base interactions energy: -399.523
where: short stacking energy: -185.423
Base-Backbone interact. energy: -0.217
local terms energy: -245.295005
where:
bonds (distance) C4'-P energy: -58.894
bonds (distance) P-C4' energy: -49.558
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -25.382
tors. eta vs tors. theta energy: -50.223
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: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -495.438275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.438275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.438275 (E_RNA)
where:
Base-Base interactions energy: -293.489
where: short stacking energy: -134.172
Base-Backbone interact. energy: -1.557
local terms energy: -200.391625
where:
bonds (distance) C4'-P energy: -49.821
bonds (distance) P-C4' energy: -54.662
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -27.351
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1079.211079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.211079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.211079 (E_RNA)
where:
Base-Base interactions energy: -744.120
where: short stacking energy: -328.480
Base-Backbone interact. energy: -1.152
local terms energy: -333.938673
where:
bonds (distance) C4'-P energy: -63.896
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -52.944
tors. eta vs tors. theta energy: -92.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1079.058277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.058277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.058277 (E_RNA)
where:
Base-Base interactions energy: -761.048
where: short stacking energy: -333.102
Base-Backbone interact. energy: -1.051
local terms energy: -316.958677
where:
bonds (distance) C4'-P energy: -55.015
bonds (distance) P-C4' energy: -63.354
flat angles C4'-P-C4' energy: -64.524
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -95.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1057.324356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.324356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.324356 (E_RNA)
where:
Base-Base interactions energy: -736.015
where: short stacking energy: -309.643
Base-Backbone interact. energy: 0.030
local terms energy: -321.339686
where:
bonds (distance) C4'-P energy: -68.768
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -64.736
flat angles P-C4'-P energy: -42.917
tors. eta vs tors. theta energy: -87.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -991.416054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.416054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.416054 (E_RNA)
where:
Base-Base interactions energy: -701.529
where: short stacking energy: -284.578
Base-Backbone interact. energy: -0.246
local terms energy: -289.640481
where:
bonds (distance) C4'-P energy: -63.587
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -57.453
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -78.187
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: 5, replica: 3
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -976.712185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.712185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.712185 (E_RNA)
where:
Base-Base interactions energy: -667.204
where: short stacking energy: -275.194
Base-Backbone interact. energy: -2.319
local terms energy: -307.188762
where:
bonds (distance) C4'-P energy: -60.158
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -65.190
flat angles P-C4'-P energy: -46.125
tors. eta vs tors. theta energy: -75.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -865.653698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.653698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.653698 (E_RNA)
where:
Base-Base interactions energy: -583.881
where: short stacking energy: -273.766
Base-Backbone interact. energy: -1.416
local terms energy: -280.356753
where:
bonds (distance) C4'-P energy: -54.569
bonds (distance) P-C4' energy: -46.537
flat angles C4'-P-C4' energy: -66.831
flat angles P-C4'-P energy: -39.686
tors. eta vs tors. theta energy: -72.734
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: 120
Temperature: 1.200000
Total energy: -776.839005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.839005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.839005 (E_RNA)
where:
Base-Base interactions energy: -514.531
where: short stacking energy: -212.814
Base-Backbone interact. energy: -2.863
local terms energy: -259.444997
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -57.254
flat angles P-C4'-P energy: -36.617
tors. eta vs tors. theta energy: -57.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -737.188874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.188874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.188874 (E_RNA)
where:
Base-Base interactions energy: -482.928
where: short stacking energy: -208.221
Base-Backbone interact. energy: -0.047
local terms energy: -254.213958
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -61.453
flat angles C4'-P-C4' energy: -52.955
flat angles P-C4'-P energy: -44.188
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: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -534.979137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.979137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.979137 (E_RNA)
where:
Base-Base interactions energy: -324.011
where: short stacking energy: -159.372
Base-Backbone interact. energy: 3.031
local terms energy: -213.999364
where:
bonds (distance) C4'-P energy: -54.545
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -58.369
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -24.666
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: 10, replica: 4
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -587.626335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.626335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.626335 (E_RNA)
where:
Base-Base interactions energy: -394.955
where: short stacking energy: -176.051
Base-Backbone interact. energy: 2.907
local terms energy: -195.577849
where:
bonds (distance) C4'-P energy: -42.636
bonds (distance) P-C4' energy: -47.308
flat angles C4'-P-C4' energy: -43.758
flat angles P-C4'-P energy: -28.321
tors. eta vs tors. theta energy: -33.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1088.981542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.981542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.981542 (E_RNA)
where:
Base-Base interactions energy: -759.004
where: short stacking energy: -313.662
Base-Backbone interact. energy: -1.177
local terms energy: -328.800467
where:
bonds (distance) C4'-P energy: -62.350
bonds (distance) P-C4' energy: -64.426
flat angles C4'-P-C4' energy: -66.398
flat angles P-C4'-P energy: -39.109
tors. eta vs tors. theta energy: -96.518
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: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1077.063615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.063615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.063615 (E_RNA)
where:
Base-Base interactions energy: -750.652
where: short stacking energy: -309.659
Base-Backbone interact. energy: -1.030
local terms energy: -325.381081
where:
bonds (distance) C4'-P energy: -61.201
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -68.013
flat angles P-C4'-P energy: -49.287
tors. eta vs tors. theta energy: -86.927
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1026.086456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.086456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.086456 (E_RNA)
where:
Base-Base interactions energy: -698.987
where: short stacking energy: -298.357
Base-Backbone interact. energy: -2.379
local terms energy: -324.720795
where:
bonds (distance) C4'-P energy: -63.369
bonds (distance) P-C4' energy: -65.814
flat angles C4'-P-C4' energy: -61.775
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -85.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -977.666186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.666186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.666186 (E_RNA)
where:
Base-Base interactions energy: -686.168
where: short stacking energy: -280.693
Base-Backbone interact. energy: -2.640
local terms energy: -288.858026
where:
bonds (distance) C4'-P energy: -47.970
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -66.755
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -78.525
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: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -933.339501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.339501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.339501 (E_RNA)
where:
Base-Base interactions energy: -641.466
where: short stacking energy: -276.032
Base-Backbone interact. energy: 0.029
local terms energy: -291.902806
where:
bonds (distance) C4'-P energy: -64.720
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -66.512
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -74.668
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: 5
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -874.126146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.126146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.126146 (E_RNA)
where:
Base-Base interactions energy: -601.175
where: short stacking energy: -255.925
Base-Backbone interact. energy: -2.945
local terms energy: -270.006378
where:
bonds (distance) C4'-P energy: -34.358
bonds (distance) P-C4' energy: -54.158
flat angles C4'-P-C4' energy: -65.039
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -75.613
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: 121
Temperature: 1.200000
Total energy: -816.943601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.943601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.943601 (E_RNA)
where:
Base-Base interactions energy: -540.042
where: short stacking energy: -244.247
Base-Backbone interact. energy: -1.220
local terms energy: -275.681900
where:
bonds (distance) C4'-P energy: -52.252
bonds (distance) P-C4' energy: -62.419
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -62.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -708.250759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.250759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.250759 (E_RNA)
where:
Base-Base interactions energy: -466.060
where: short stacking energy: -217.021
Base-Backbone interact. energy: 1.790
local terms energy: -243.980645
where:
bonds (distance) C4'-P energy: -56.668
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -57.512
flat angles P-C4'-P energy: -42.267
tors. eta vs tors. theta energy: -46.324
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: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -497.959737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.959737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.959737 (E_RNA)
where:
Base-Base interactions energy: -317.898
where: short stacking energy: -164.809
Base-Backbone interact. energy: 2.023
local terms energy: -182.085128
where:
bonds (distance) C4'-P energy: -42.171
bonds (distance) P-C4' energy: -38.280
flat angles C4'-P-C4' energy: -47.553
flat angles P-C4'-P energy: -32.699
tors. eta vs tors. theta energy: -21.382
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: 4
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -531.269490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.269490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.269490 (E_RNA)
where:
Base-Base interactions energy: -330.498
where: short stacking energy: -156.225
Base-Backbone interact. energy: -0.822
local terms energy: -199.949339
where:
bonds (distance) C4'-P energy: -46.195
bonds (distance) P-C4' energy: -46.345
flat angles C4'-P-C4' energy: -50.156
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -23.777
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: 1, replica: 6
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1095.498345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.498345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.498345 (E_RNA)
where:
Base-Base interactions energy: -775.742
where: short stacking energy: -349.313
Base-Backbone interact. energy: -2.204
local terms energy: -317.551464
where:
bonds (distance) C4'-P energy: -61.668
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -36.348
tors. eta vs tors. theta energy: -91.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1079.422150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.422150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.422150 (E_RNA)
where:
Base-Base interactions energy: -764.652
where: short stacking energy: -316.568
Base-Backbone interact. energy: -1.776
local terms energy: -312.994890
where:
bonds (distance) C4'-P energy: -59.339
bonds (distance) P-C4' energy: -58.498
flat angles C4'-P-C4' energy: -69.387
flat angles P-C4'-P energy: -41.103
tors. eta vs tors. theta energy: -84.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1023.030910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.030910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.030910 (E_RNA)
where:
Base-Base interactions energy: -705.124
where: short stacking energy: -306.726
Base-Backbone interact. energy: -2.198
local terms energy: -315.708645
where:
bonds (distance) C4'-P energy: -60.915
bonds (distance) P-C4' energy: -62.427
flat angles C4'-P-C4' energy: -58.198
flat angles P-C4'-P energy: -47.940
tors. eta vs tors. theta energy: -86.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -958.738039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.738039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.738039 (E_RNA)
where:
Base-Base interactions energy: -643.793
where: short stacking energy: -278.350
Base-Backbone interact. energy: -2.521
local terms energy: -312.423508
where:
bonds (distance) C4'-P energy: -62.190
bonds (distance) P-C4' energy: -64.495
flat angles C4'-P-C4' energy: -66.293
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -76.520
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: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -965.475704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.475704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.475704 (E_RNA)
where:
Base-Base interactions energy: -679.077
where: short stacking energy: -290.783
Base-Backbone interact. energy: 6.921
local terms energy: -293.319678
where:
bonds (distance) C4'-P energy: -49.827
bonds (distance) P-C4' energy: -51.895
flat angles C4'-P-C4' energy: -65.152
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -85.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -866.523836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.523836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.523836 (E_RNA)
where:
Base-Base interactions energy: -605.049
where: short stacking energy: -275.869
Base-Backbone interact. energy: -1.202
local terms energy: -260.273123
where:
bonds (distance) C4'-P energy: -59.589
bonds (distance) P-C4' energy: -33.764
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -72.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -822.173621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.173621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.173621 (E_RNA)
where:
Base-Base interactions energy: -561.272
where: short stacking energy: -252.948
Base-Backbone interact. energy: -2.499
local terms energy: -258.402356
where:
bonds (distance) C4'-P energy: -54.096
bonds (distance) P-C4' energy: -55.803
flat angles C4'-P-C4' energy: -56.073
flat angles P-C4'-P energy: -32.470
tors. eta vs tors. theta energy: -59.960
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: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -721.699981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.699981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.699981 (E_RNA)
where:
Base-Base interactions energy: -482.046
where: short stacking energy: -217.786
Base-Backbone interact. energy: -2.495
local terms energy: -237.158924
where:
bonds (distance) C4'-P energy: -42.025
bonds (distance) P-C4' energy: -46.527
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -37.377
tors. eta vs tors. theta energy: -52.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -569.698772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.698772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.698772 (E_RNA)
where:
Base-Base interactions energy: -345.857
where: short stacking energy: -152.485
Base-Backbone interact. energy: -1.224
local terms energy: -222.617972
where:
bonds (distance) C4'-P energy: -48.299
bonds (distance) P-C4' energy: -54.572
flat angles C4'-P-C4' energy: -60.702
flat angles P-C4'-P energy: -23.609
tors. eta vs tors. theta energy: -35.436
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: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -463.366445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.366445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.366445 (E_RNA)
where:
Base-Base interactions energy: -245.192
where: short stacking energy: -119.638
Base-Backbone interact. energy: -1.253
local terms energy: -216.921671
where:
bonds (distance) C4'-P energy: -59.090
bonds (distance) P-C4' energy: -51.316
flat angles C4'-P-C4' energy: -53.337
flat angles P-C4'-P energy: -39.265
tors. eta vs tors. theta energy: -13.913
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: 6
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1110.396876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.396876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.396876 (E_RNA)
where:
Base-Base interactions energy: -776.491
where: short stacking energy: -331.972
Base-Backbone interact. energy: -0.723
local terms energy: -333.182854
where:
bonds (distance) C4'-P energy: -59.038
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -48.218
tors. eta vs tors. theta energy: -93.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1078.178282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.178282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.178282 (E_RNA)
where:
Base-Base interactions energy: -762.036
where: short stacking energy: -316.227
Base-Backbone interact. energy: -1.264
local terms energy: -314.878358
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -60.013
flat angles C4'-P-C4' energy: -66.105
flat angles P-C4'-P energy: -43.684
tors. eta vs tors. theta energy: -87.552
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: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1052.839815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.839815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.839815 (E_RNA)
where:
Base-Base interactions energy: -736.593
where: short stacking energy: -331.608
Base-Backbone interact. energy: -0.863
local terms energy: -315.383838
where:
bonds (distance) C4'-P energy: -59.122
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -65.436
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -88.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -980.000826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.000826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.000826 (E_RNA)
where:
Base-Base interactions energy: -693.403
where: short stacking energy: -289.625
Base-Backbone interact. energy: 1.016
local terms energy: -287.614366
where:
bonds (distance) C4'-P energy: -56.359
bonds (distance) P-C4' energy: -52.904
flat angles C4'-P-C4' energy: -67.536
flat angles P-C4'-P energy: -36.737
tors. eta vs tors. theta energy: -74.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -933.810968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.810968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.810968 (E_RNA)
where:
Base-Base interactions energy: -648.502
where: short stacking energy: -253.831
Base-Backbone interact. energy: -0.373
local terms energy: -284.935738
where:
bonds (distance) C4'-P energy: -55.421
bonds (distance) P-C4' energy: -62.883
flat angles C4'-P-C4' energy: -62.652
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -65.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -903.620776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.620776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.620776 (E_RNA)
where:
Base-Base interactions energy: -602.409
where: short stacking energy: -274.939
Base-Backbone interact. energy: -1.687
local terms energy: -299.524092
where:
bonds (distance) C4'-P energy: -57.865
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -44.070
tors. eta vs tors. theta energy: -78.626
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: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -806.037265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.037265 (E_RNA)
where:
Base-Base interactions energy: -547.726
where: short stacking energy: -232.362
Base-Backbone interact. energy: -0.698
local terms energy: -257.613107
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -59.455
flat angles P-C4'-P energy: -29.462
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: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -722.173694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.173694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.173694 (E_RNA)
where:
Base-Base interactions energy: -475.792
where: short stacking energy: -222.464
Base-Backbone interact. energy: 1.763
local terms energy: -248.144584
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -47.983
flat angles C4'-P-C4' energy: -56.803
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -52.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -524.815744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.815744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.815744 (E_RNA)
where:
Base-Base interactions energy: -348.332
where: short stacking energy: -159.863
Base-Backbone interact. energy: 2.953
local terms energy: -179.436382
where:
bonds (distance) C4'-P energy: -47.455
bonds (distance) P-C4' energy: -40.732
flat angles C4'-P-C4' energy: -39.440
flat angles P-C4'-P energy: -30.053
tors. eta vs tors. theta energy: -21.756
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: 123
Temperature: 1.350000
Total energy: -446.945765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.945765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.945765 (E_RNA)
where:
Base-Base interactions energy: -258.212
where: short stacking energy: -142.610
Base-Backbone interact. energy: -0.357
local terms energy: -188.376843
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -43.015
flat angles C4'-P-C4' energy: -42.078
flat angles P-C4'-P energy: -31.547
tors. eta vs tors. theta energy: -23.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1118.308587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.308587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.308587 (E_RNA)
where:
Base-Base interactions energy: -776.118
where: short stacking energy: -342.747
Base-Backbone interact. energy: -1.035
local terms energy: -341.155555
where:
bonds (distance) C4'-P energy: -59.592
bonds (distance) P-C4' energy: -65.352
flat angles C4'-P-C4' energy: -75.754
flat angles P-C4'-P energy: -46.658
tors. eta vs tors. theta energy: -93.799
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: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1068.149835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.149835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.149835 (E_RNA)
where:
Base-Base interactions energy: -743.495
where: short stacking energy: -307.337
Base-Backbone interact. energy: -1.167
local terms energy: -323.487949
where:
bonds (distance) C4'-P energy: -62.542
bonds (distance) P-C4' energy: -63.481
flat angles C4'-P-C4' energy: -66.108
flat angles P-C4'-P energy: -44.603
tors. eta vs tors. theta energy: -86.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1031.606776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.606776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.606776 (E_RNA)
where:
Base-Base interactions energy: -723.394
where: short stacking energy: -315.366
Base-Backbone interact. energy: -0.279
local terms energy: -307.934328
where:
bonds (distance) C4'-P energy: -51.085
bonds (distance) P-C4' energy: -63.570
flat angles C4'-P-C4' energy: -70.036
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -82.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -982.883641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.883641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.883641 (E_RNA)
where:
Base-Base interactions energy: -679.212
where: short stacking energy: -307.421
Base-Backbone interact. energy: 0.472
local terms energy: -304.143404
where:
bonds (distance) C4'-P energy: -53.884
bonds (distance) P-C4' energy: -51.242
flat angles C4'-P-C4' energy: -67.719
flat angles P-C4'-P energy: -51.322
tors. eta vs tors. theta energy: -79.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -937.247999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.247999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.247999 (E_RNA)
where:
Base-Base interactions energy: -635.342
where: short stacking energy: -274.696
Base-Backbone interact. energy: -0.257
local terms energy: -301.649132
where:
bonds (distance) C4'-P energy: -52.829
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -59.442
flat angles P-C4'-P energy: -47.989
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: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -882.607064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.607064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.607064 (E_RNA)
where:
Base-Base interactions energy: -597.916
where: short stacking energy: -259.733
Base-Backbone interact. energy: -1.522
local terms energy: -283.168950
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -46.047
flat angles C4'-P-C4' energy: -61.055
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -67.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -811.109739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.109739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.109739 (E_RNA)
where:
Base-Base interactions energy: -550.728
where: short stacking energy: -240.170
Base-Backbone interact. energy: 0.016
local terms energy: -260.398073
where:
bonds (distance) C4'-P energy: -46.478
bonds (distance) P-C4' energy: -53.575
flat angles C4'-P-C4' energy: -63.162
flat angles P-C4'-P energy: -41.885
tors. eta vs tors. theta energy: -55.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -748.542865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.542865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.542865 (E_RNA)
where:
Base-Base interactions energy: -477.427
where: short stacking energy: -229.529
Base-Backbone interact. energy: -1.115
local terms energy: -270.000841
where:
bonds (distance) C4'-P energy: -60.620
bonds (distance) P-C4' energy: -56.297
flat angles C4'-P-C4' energy: -62.419
flat angles P-C4'-P energy: -33.465
tors. eta vs tors. theta energy: -57.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -532.806971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.806971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.806971 (E_RNA)
where:
Base-Base interactions energy: -323.624
where: short stacking energy: -157.838
Base-Backbone interact. energy: 0.475
local terms energy: -209.657415
where:
bonds (distance) C4'-P energy: -45.038
bonds (distance) P-C4' energy: -55.055
flat angles C4'-P-C4' energy: -52.201
flat angles P-C4'-P energy: -28.171
tors. eta vs tors. theta energy: -29.194
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: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -412.421910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.421910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.421910 (E_RNA)
where:
Base-Base interactions energy: -245.869
where: short stacking energy: -128.954
Base-Backbone interact. energy: -0.847
local terms energy: -165.706036
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -34.250
flat angles C4'-P-C4' energy: -53.407
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1114.067259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.067259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.067259 (E_RNA)
where:
Base-Base interactions energy: -774.347
where: short stacking energy: -339.970
Base-Backbone interact. energy: -1.154
local terms energy: -338.566733
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -64.668
flat angles C4'-P-C4' energy: -71.668
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -96.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1080.887536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.887536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.887536 (E_RNA)
where:
Base-Base interactions energy: -756.695
where: short stacking energy: -326.331
Base-Backbone interact. energy: 0.722
local terms energy: -324.914312
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -59.734
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -49.583
tors. eta vs tors. theta energy: -92.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1025.699759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.699759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.699759 (E_RNA)
where:
Base-Base interactions energy: -717.832
where: short stacking energy: -304.982
Base-Backbone interact. energy: -0.889
local terms energy: -306.978933
where:
bonds (distance) C4'-P energy: -58.869
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -65.902
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -82.521
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: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1001.475366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.475366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.475366 (E_RNA)
where:
Base-Base interactions energy: -692.693
where: short stacking energy: -297.043
Base-Backbone interact. energy: -1.234
local terms energy: -307.548157
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -60.394
flat angles C4'-P-C4' energy: -71.199
flat angles P-C4'-P energy: -48.864
tors. eta vs tors. theta energy: -79.501
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: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -931.778803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.778803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.778803 (E_RNA)
where:
Base-Base interactions energy: -639.104
where: short stacking energy: -260.727
Base-Backbone interact. energy: -3.031
local terms energy: -289.643303
where:
bonds (distance) C4'-P energy: -46.186
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -50.091
tors. eta vs tors. theta energy: -76.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -824.178554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.178554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.178554 (E_RNA)
where:
Base-Base interactions energy: -554.525
where: short stacking energy: -233.277
Base-Backbone interact. energy: -0.828
local terms energy: -268.825229
where:
bonds (distance) C4'-P energy: -60.156
bonds (distance) P-C4' energy: -45.703
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -43.935
tors. eta vs tors. theta energy: -60.761
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: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -847.683279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.683279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.683279 (E_RNA)
where:
Base-Base interactions energy: -579.597
where: short stacking energy: -268.598
Base-Backbone interact. energy: -1.034
local terms energy: -267.052060
where:
bonds (distance) C4'-P energy: -45.224
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -52.344
flat angles P-C4'-P energy: -36.071
tors. eta vs tors. theta energy: -71.885
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: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -712.050717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.050717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.050717 (E_RNA)
where:
Base-Base interactions energy: -475.250
where: short stacking energy: -211.750
Base-Backbone interact. energy: 0.729
local terms energy: -237.529254
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -63.028
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -53.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -514.185469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.185469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.185469 (E_RNA)
where:
Base-Base interactions energy: -308.003
where: short stacking energy: -144.663
Base-Backbone interact. energy: -0.548
local terms energy: -205.635089
where:
bonds (distance) C4'-P energy: -44.934
bonds (distance) P-C4' energy: -63.430
flat angles C4'-P-C4' energy: -48.572
flat angles P-C4'-P energy: -29.117
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -410.076687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.076687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.076687 (E_RNA)
where:
Base-Base interactions energy: -239.248
where: short stacking energy: -119.193
Base-Backbone interact. energy: -0.528
local terms energy: -170.300663
where:
bonds (distance) C4'-P energy: -30.266
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -35.809
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -9.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1091.222961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.222961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.222961 (E_RNA)
where:
Base-Base interactions energy: -774.884
where: short stacking energy: -342.390
Base-Backbone interact. energy: -0.835
local terms energy: -315.504125
where:
bonds (distance) C4'-P energy: -62.814
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -67.356
flat angles P-C4'-P energy: -37.746
tors. eta vs tors. theta energy: -94.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1088.474398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.474398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.474398 (E_RNA)
where:
Base-Base interactions energy: -759.958
where: short stacking energy: -325.033
Base-Backbone interact. energy: -0.695
local terms energy: -327.821615
where:
bonds (distance) C4'-P energy: -59.149
bonds (distance) P-C4' energy: -59.608
flat angles C4'-P-C4' energy: -67.042
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -94.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1011.915676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.915676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.915676 (E_RNA)
where:
Base-Base interactions energy: -717.295
where: short stacking energy: -307.549
Base-Backbone interact. energy: -1.760
local terms energy: -292.860677
where:
bonds (distance) C4'-P energy: -55.767
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -61.013
flat angles P-C4'-P energy: -34.887
tors. eta vs tors. theta energy: -81.504
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: 126
Temperature: 1.050000
Total energy: -1029.671124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.671124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.671124 (E_RNA)
where:
Base-Base interactions energy: -719.708
where: short stacking energy: -305.326
Base-Backbone interact. energy: -3.444
local terms energy: -306.519070
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -66.756
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -88.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -847.795799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.795799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.795799 (E_RNA)
where:
Base-Base interactions energy: -571.135
where: short stacking energy: -264.057
Base-Backbone interact. energy: -1.359
local terms energy: -275.301767
where:
bonds (distance) C4'-P energy: -48.633
bonds (distance) P-C4' energy: -57.528
flat angles C4'-P-C4' energy: -59.324
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -69.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -936.614490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.614490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.614490 (E_RNA)
where:
Base-Base interactions energy: -663.851
where: short stacking energy: -268.087
Base-Backbone interact. energy: -1.931
local terms energy: -270.832154
where:
bonds (distance) C4'-P energy: -48.595
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -62.058
flat angles P-C4'-P energy: -35.522
tors. eta vs tors. theta energy: -75.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -847.855034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.855034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.855034 (E_RNA)
where:
Base-Base interactions energy: -589.217
where: short stacking energy: -253.573
Base-Backbone interact. energy: -1.071
local terms energy: -257.566661
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -38.172
tors. eta vs tors. theta energy: -70.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -801.991083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.991083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.991083 (E_RNA)
where:
Base-Base interactions energy: -550.341
where: short stacking energy: -234.913
Base-Backbone interact. energy: -0.262
local terms energy: -251.388269
where:
bonds (distance) C4'-P energy: -44.004
bonds (distance) P-C4' energy: -55.946
flat angles C4'-P-C4' energy: -59.117
flat angles P-C4'-P energy: -38.175
tors. eta vs tors. theta energy: -54.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -542.358068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.358068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.358068 (E_RNA)
where:
Base-Base interactions energy: -327.183
where: short stacking energy: -155.447
Base-Backbone interact. energy: -1.776
local terms energy: -213.399115
where:
bonds (distance) C4'-P energy: -45.437
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -30.745
tors. eta vs tors. theta energy: -38.385
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: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -440.907059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.907059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.907059 (E_RNA)
where:
Base-Base interactions energy: -236.638
where: short stacking energy: -116.698
Base-Backbone interact. energy: 1.720
local terms energy: -205.988917
where:
bonds (distance) C4'-P energy: -57.796
bonds (distance) P-C4' energy: -57.756
flat angles C4'-P-C4' energy: -51.364
flat angles P-C4'-P energy: -35.335
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1122.781776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.781776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.781776 (E_RNA)
where:
Base-Base interactions energy: -800.300
where: short stacking energy: -350.278
Base-Backbone interact. energy: -3.777
local terms energy: -318.705353
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -60.478
flat angles C4'-P-C4' energy: -64.869
flat angles P-C4'-P energy: -43.191
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: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1092.197776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.197776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.197776 (E_RNA)
where:
Base-Base interactions energy: -771.155
where: short stacking energy: -333.623
Base-Backbone interact. energy: -2.094
local terms energy: -318.947933
where:
bonds (distance) C4'-P energy: -55.127
bonds (distance) P-C4' energy: -65.427
flat angles C4'-P-C4' energy: -68.521
flat angles P-C4'-P energy: -38.334
tors. eta vs tors. theta energy: -91.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -1011.788908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.788908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.788908 (E_RNA)
where:
Base-Base interactions energy: -697.192
where: short stacking energy: -291.965
Base-Backbone interact. energy: 0.475
local terms energy: -315.071513
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -68.858
flat angles P-C4'-P energy: -43.874
tors. eta vs tors. theta energy: -86.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1016.577844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.577844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.577844 (E_RNA)
where:
Base-Base interactions energy: -711.577
where: short stacking energy: -292.729
Base-Backbone interact. energy: -1.509
local terms energy: -303.492094
where:
bonds (distance) C4'-P energy: -60.893
bonds (distance) P-C4' energy: -57.263
flat angles C4'-P-C4' energy: -69.406
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -78.077
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: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -841.950052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.950052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.950052 (E_RNA)
where:
Base-Base interactions energy: -558.646
where: short stacking energy: -265.213
Base-Backbone interact. energy: -0.675
local terms energy: -282.628543
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -61.329
flat angles C4'-P-C4' energy: -59.943
flat angles P-C4'-P energy: -34.910
tors. eta vs tors. theta energy: -71.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -921.468166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.468166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.468166 (E_RNA)
where:
Base-Base interactions energy: -650.666
where: short stacking energy: -267.291
Base-Backbone interact. energy: -1.169
local terms energy: -269.633652
where:
bonds (distance) C4'-P energy: -57.264
bonds (distance) P-C4' energy: -53.440
flat angles C4'-P-C4' energy: -47.941
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -72.411
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -870.345096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.345096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.345096 (E_RNA)
where:
Base-Base interactions energy: -599.022
where: short stacking energy: -270.182
Base-Backbone interact. energy: -0.238
local terms energy: -271.084447
where:
bonds (distance) C4'-P energy: -52.707
bonds (distance) P-C4' energy: -49.776
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -36.227
tors. eta vs tors. theta energy: -77.608
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: 9
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -817.067542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.067542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.067542 (E_RNA)
where:
Base-Base interactions energy: -569.706
where: short stacking energy: -251.162
Base-Backbone interact. energy: 1.888
local terms energy: -249.249054
where:
bonds (distance) C4'-P energy: -38.101
bonds (distance) P-C4' energy: -55.417
flat angles C4'-P-C4' energy: -50.787
flat angles P-C4'-P energy: -43.635
tors. eta vs tors. theta energy: -61.309
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: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -587.269259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.269259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.269259 (E_RNA)
where:
Base-Base interactions energy: -359.716
where: short stacking energy: -179.789
Base-Backbone interact. energy: 0.820
local terms energy: -228.372894
where:
bonds (distance) C4'-P energy: -62.993
bonds (distance) P-C4' energy: -49.741
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -30.124
tors. eta vs tors. theta energy: -35.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -455.127429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.127429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.127429 (E_RNA)
where:
Base-Base interactions energy: -252.517
where: short stacking energy: -137.463
Base-Backbone interact. energy: -0.023
local terms energy: -202.587507
where:
bonds (distance) C4'-P energy: -44.171
bonds (distance) P-C4' energy: -53.376
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -34.908
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1123.182140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.182140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.182140 (E_RNA)
where:
Base-Base interactions energy: -776.317
where: short stacking energy: -348.161
Base-Backbone interact. energy: -0.279
local terms energy: -346.585656
where:
bonds (distance) C4'-P energy: -70.187
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -73.320
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -103.285
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: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1088.159678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.159678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.159678 (E_RNA)
where:
Base-Base interactions energy: -757.620
where: short stacking energy: -322.167
Base-Backbone interact. energy: -0.663
local terms energy: -329.876530
where:
bonds (distance) C4'-P energy: -65.368
bonds (distance) P-C4' energy: -64.715
flat angles C4'-P-C4' energy: -65.534
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -89.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1032.042213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.042213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.042213 (E_RNA)
where:
Base-Base interactions energy: -733.280
where: short stacking energy: -309.038
Base-Backbone interact. energy: -1.221
local terms energy: -297.540987
where:
bonds (distance) C4'-P energy: -59.065
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -70.658
flat angles P-C4'-P energy: -29.043
tors. eta vs tors. theta energy: -85.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -988.607776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.607776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.607776 (E_RNA)
where:
Base-Base interactions energy: -692.834
where: short stacking energy: -300.210
Base-Backbone interact. energy: -0.903
local terms energy: -294.870388
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -57.566
flat angles C4'-P-C4' energy: -66.955
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -84.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -946.766480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.766480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.766480 (E_RNA)
where:
Base-Base interactions energy: -674.086
where: short stacking energy: -291.440
Base-Backbone interact. energy: -1.133
local terms energy: -271.547471
where:
bonds (distance) C4'-P energy: -53.360
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -66.845
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -76.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -830.225893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.225893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.225893 (E_RNA)
where:
Base-Base interactions energy: -560.238
where: short stacking energy: -255.856
Base-Backbone interact. energy: -0.590
local terms energy: -269.398655
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -64.520
flat angles C4'-P-C4' energy: -57.588
flat angles P-C4'-P energy: -39.059
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: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -835.834327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.834327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.834327 (E_RNA)
where:
Base-Base interactions energy: -576.394
where: short stacking energy: -262.807
Base-Backbone interact. energy: -0.522
local terms energy: -258.918499
where:
bonds (distance) C4'-P energy: -40.530
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -67.592
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: 128
Temperature: 1.250000
Total energy: -785.087537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.087537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.087537 (E_RNA)
where:
Base-Base interactions energy: -522.579
where: short stacking energy: -237.886
Base-Backbone interact. energy: -0.901
local terms energy: -261.607879
where:
bonds (distance) C4'-P energy: -56.722
bonds (distance) P-C4' energy: -50.692
flat angles C4'-P-C4' energy: -58.499
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -57.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -531.017706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.017706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.017706 (E_RNA)
where:
Base-Base interactions energy: -323.918
where: short stacking energy: -146.678
Base-Backbone interact. energy: -0.943
local terms energy: -206.157389
where:
bonds (distance) C4'-P energy: -63.065
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -46.223
flat angles P-C4'-P energy: -20.334
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -410.359482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.359482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.359482 (E_RNA)
where:
Base-Base interactions energy: -218.615
where: short stacking energy: -114.261
Base-Backbone interact. energy: -0.708
local terms energy: -191.036360
where:
bonds (distance) C4'-P energy: -44.609
bonds (distance) P-C4' energy: -65.863
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -4.800
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: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1104.614089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.614089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.614089 (E_RNA)
where:
Base-Base interactions energy: -765.943
where: short stacking energy: -339.279
Base-Backbone interact. energy: -0.318
local terms energy: -338.352632
where:
bonds (distance) C4'-P energy: -66.138
bonds (distance) P-C4' energy: -61.609
flat angles C4'-P-C4' energy: -70.732
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: -103.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1099.076335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.076335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.076335 (E_RNA)
where:
Base-Base interactions energy: -785.830
where: short stacking energy: -343.159
Base-Backbone interact. energy: -1.748
local terms energy: -311.498320
where:
bonds (distance) C4'-P energy: -53.048
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -63.180
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -97.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1029.947460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.947460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.947460 (E_RNA)
where:
Base-Base interactions energy: -707.668
where: short stacking energy: -296.348
Base-Backbone interact. energy: -0.501
local terms energy: -321.778413
where:
bonds (distance) C4'-P energy: -68.108
bonds (distance) P-C4' energy: -63.945
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -87.402
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: 7
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -970.755079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.755079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.755079 (E_RNA)
where:
Base-Base interactions energy: -660.689
where: short stacking energy: -303.650
Base-Backbone interact. energy: -0.537
local terms energy: -309.528480
where:
bonds (distance) C4'-P energy: -57.353
bonds (distance) P-C4' energy: -50.032
flat angles C4'-P-C4' energy: -64.941
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -86.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -939.952230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.952230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.952230 (E_RNA)
where:
Base-Base interactions energy: -651.105
where: short stacking energy: -259.430
Base-Backbone interact. energy: -0.810
local terms energy: -288.036279
where:
bonds (distance) C4'-P energy: -56.152
bonds (distance) P-C4' energy: -57.719
flat angles C4'-P-C4' energy: -60.426
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -77.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -837.950796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.950796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.950796 (E_RNA)
where:
Base-Base interactions energy: -550.489
where: short stacking energy: -250.557
Base-Backbone interact. energy: 1.111
local terms energy: -288.572898
where:
bonds (distance) C4'-P energy: -58.340
bonds (distance) P-C4' energy: -59.200
flat angles C4'-P-C4' energy: -57.403
flat angles P-C4'-P energy: -43.261
tors. eta vs tors. theta energy: -70.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -814.442292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.442292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.442292 (E_RNA)
where:
Base-Base interactions energy: -537.388
where: short stacking energy: -229.878
Base-Backbone interact. energy: -0.772
local terms energy: -276.281685
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -59.551
flat angles C4'-P-C4' energy: -67.219
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -69.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -790.931046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.931046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.931046 (E_RNA)
where:
Base-Base interactions energy: -538.399
where: short stacking energy: -231.862
Base-Backbone interact. energy: 1.018
local terms energy: -253.550967
where:
bonds (distance) C4'-P energy: -54.879
bonds (distance) P-C4' energy: -46.301
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -38.574
tors. eta vs tors. theta energy: -60.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -616.230603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.230603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.230603 (E_RNA)
where:
Base-Base interactions energy: -393.013
where: short stacking energy: -210.246
Base-Backbone interact. energy: -1.680
local terms energy: -221.538303
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -45.545
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -56.277
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -403.808509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.808509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.808509 (E_RNA)
where:
Base-Base interactions energy: -211.478
where: short stacking energy: -119.733
Base-Backbone interact. energy: 0.718
local terms energy: -193.048529
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -58.792
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -4.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1113.327144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.327144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.327144 (E_RNA)
where:
Base-Base interactions energy: -777.459
where: short stacking energy: -344.295
Base-Backbone interact. energy: -1.326
local terms energy: -334.542261
where:
bonds (distance) C4'-P energy: -72.697
bonds (distance) P-C4' energy: -48.894
flat angles C4'-P-C4' energy: -76.133
flat angles P-C4'-P energy: -40.213
tors. eta vs tors. theta energy: -96.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1095.505641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.505641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.505641 (E_RNA)
where:
Base-Base interactions energy: -779.840
where: short stacking energy: -321.777
Base-Backbone interact. energy: -1.666
local terms energy: -314.000371
where:
bonds (distance) C4'-P energy: -58.856
bonds (distance) P-C4' energy: -59.797
flat angles C4'-P-C4' energy: -66.676
flat angles P-C4'-P energy: -35.825
tors. eta vs tors. theta energy: -92.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1003.050936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.050936 (E_RNA)
where:
Base-Base interactions energy: -695.233
where: short stacking energy: -323.923
Base-Backbone interact. energy: -0.437
local terms energy: -307.381027
where:
bonds (distance) C4'-P energy: -53.819
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -67.484
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -91.425
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: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1000.879916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.879916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.879916 (E_RNA)
where:
Base-Base interactions energy: -706.502
where: short stacking energy: -295.187
Base-Backbone interact. energy: -2.005
local terms energy: -292.373465
where:
bonds (distance) C4'-P energy: -58.576
bonds (distance) P-C4' energy: -58.288
flat angles C4'-P-C4' energy: -57.438
flat angles P-C4'-P energy: -38.534
tors. eta vs tors. theta energy: -79.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -957.261589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.261589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.261589 (E_RNA)
where:
Base-Base interactions energy: -656.515
where: short stacking energy: -268.973
Base-Backbone interact. energy: -1.576
local terms energy: -299.170660
where:
bonds (distance) C4'-P energy: -50.005
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -51.367
tors. eta vs tors. theta energy: -69.577
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: 10
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -854.893731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.893731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.893731 (E_RNA)
where:
Base-Base interactions energy: -552.547
where: short stacking energy: -267.436
Base-Backbone interact. energy: -1.184
local terms energy: -301.162668
where:
bonds (distance) C4'-P energy: -59.521
bonds (distance) P-C4' energy: -63.171
flat angles C4'-P-C4' energy: -65.589
flat angles P-C4'-P energy: -39.940
tors. eta vs tors. theta energy: -72.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -854.473177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.473177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.473177 (E_RNA)
where:
Base-Base interactions energy: -580.043
where: short stacking energy: -243.227
Base-Backbone interact. energy: 0.518
local terms energy: -274.947886
where:
bonds (distance) C4'-P energy: -60.046
bonds (distance) P-C4' energy: -62.054
flat angles C4'-P-C4' energy: -56.498
flat angles P-C4'-P energy: -31.139
tors. eta vs tors. theta energy: -65.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -804.405086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.405086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.405086 (E_RNA)
where:
Base-Base interactions energy: -547.858
where: short stacking energy: -239.706
Base-Backbone interact. energy: -0.590
local terms energy: -255.957131
where:
bonds (distance) C4'-P energy: -37.691
bonds (distance) P-C4' energy: -59.461
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -40.987
tors. eta vs tors. theta energy: -64.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -574.766160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.766160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.766160 (E_RNA)
where:
Base-Base interactions energy: -340.960
where: short stacking energy: -187.004
Base-Backbone interact. energy: 3.939
local terms energy: -237.744933
where:
bonds (distance) C4'-P energy: -50.535
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -66.469
flat angles P-C4'-P energy: -28.258
tors. eta vs tors. theta energy: -47.233
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: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -408.104093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.104093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.104093 (E_RNA)
where:
Base-Base interactions energy: -226.204
where: short stacking energy: -127.432
Base-Backbone interact. energy: -1.164
local terms energy: -180.735845
where:
bonds (distance) C4'-P energy: -48.533
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -47.709
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: -0.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1096.435017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.435017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.435017 (E_RNA)
where:
Base-Base interactions energy: -767.172
where: short stacking energy: -332.893
Base-Backbone interact. energy: -4.775
local terms energy: -324.488224
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -55.888
flat angles C4'-P-C4' energy: -63.241
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -95.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1090.702928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.702928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.702928 (E_RNA)
where:
Base-Base interactions energy: -769.200
where: short stacking energy: -327.583
Base-Backbone interact. energy: -0.666
local terms energy: -320.837275
where:
bonds (distance) C4'-P energy: -60.647
bonds (distance) P-C4' energy: -58.692
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -91.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -987.427758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.427758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.427758 (E_RNA)
where:
Base-Base interactions energy: -669.853
where: short stacking energy: -293.955
Base-Backbone interact. energy: -1.024
local terms energy: -316.550997
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -60.487
flat angles C4'-P-C4' energy: -65.870
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -88.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -998.158606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.158606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.158606 (E_RNA)
where:
Base-Base interactions energy: -702.369
where: short stacking energy: -295.187
Base-Backbone interact. energy: -4.538
local terms energy: -291.252487
where:
bonds (distance) C4'-P energy: -42.927
bonds (distance) P-C4' energy: -57.855
flat angles C4'-P-C4' energy: -67.680
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -86.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -956.992818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.992818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.992818 (E_RNA)
where:
Base-Base interactions energy: -653.050
where: short stacking energy: -285.185
Base-Backbone interact. energy: -1.196
local terms energy: -302.746904
where:
bonds (distance) C4'-P energy: -56.157
bonds (distance) P-C4' energy: -55.557
flat angles C4'-P-C4' energy: -61.069
flat angles P-C4'-P energy: -48.492
tors. eta vs tors. theta energy: -81.471
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: 131
Temperature: 1.150000
Total energy: -896.742677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.742677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.742677 (E_RNA)
where:
Base-Base interactions energy: -633.748
where: short stacking energy: -261.284
Base-Backbone interact. energy: -2.844
local terms energy: -260.149868
where:
bonds (distance) C4'-P energy: -51.550
bonds (distance) P-C4' energy: -54.277
flat angles C4'-P-C4' energy: -62.004
flat angles P-C4'-P energy: -28.554
tors. eta vs tors. theta energy: -63.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -823.150039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.150039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.150039 (E_RNA)
where:
Base-Base interactions energy: -562.206
where: short stacking energy: -259.802
Base-Backbone interact. energy: -2.373
local terms energy: -258.570667
where:
bonds (distance) C4'-P energy: -49.294
bonds (distance) P-C4' energy: -53.442
flat angles C4'-P-C4' energy: -58.549
flat angles P-C4'-P energy: -27.000
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: 8, replica: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -812.940912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.940912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.940912 (E_RNA)
where:
Base-Base interactions energy: -564.926
where: short stacking energy: -242.319
Base-Backbone interact. energy: -0.052
local terms energy: -247.962937
where:
bonds (distance) C4'-P energy: -39.045
bonds (distance) P-C4' energy: -34.824
flat angles C4'-P-C4' energy: -56.196
flat angles P-C4'-P energy: -49.251
tors. eta vs tors. theta energy: -68.647
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: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -594.156814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.156814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.156814 (E_RNA)
where:
Base-Base interactions energy: -363.687
where: short stacking energy: -193.200
Base-Backbone interact. energy: -0.894
local terms energy: -229.575300
where:
bonds (distance) C4'-P energy: -58.905
bonds (distance) P-C4' energy: -56.320
flat angles C4'-P-C4' energy: -38.859
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: -40.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -407.464764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.464764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.464764 (E_RNA)
where:
Base-Base interactions energy: -221.280
where: short stacking energy: -126.167
Base-Backbone interact. energy: 0.022
local terms energy: -186.207116
where:
bonds (distance) C4'-P energy: -41.749
bonds (distance) P-C4' energy: -59.825
flat angles C4'-P-C4' energy: -48.390
flat angles P-C4'-P energy: -23.955
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1101.925422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.925422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.925422 (E_RNA)
where:
Base-Base interactions energy: -783.032
where: short stacking energy: -330.831
Base-Backbone interact. energy: -2.307
local terms energy: -316.586690
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -61.517
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -46.840
tors. eta vs tors. theta energy: -85.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1108.905714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.905714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.905714 (E_RNA)
where:
Base-Base interactions energy: -780.848
where: short stacking energy: -339.471
Base-Backbone interact. energy: -0.462
local terms energy: -327.595826
where:
bonds (distance) C4'-P energy: -65.053
bonds (distance) P-C4' energy: -66.090
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -34.620
tors. eta vs tors. theta energy: -97.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1019.475937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.475937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.475937 (E_RNA)
where:
Base-Base interactions energy: -713.139
where: short stacking energy: -304.639
Base-Backbone interact. energy: -1.131
local terms energy: -305.206024
where:
bonds (distance) C4'-P energy: -54.446
bonds (distance) P-C4' energy: -62.166
flat angles C4'-P-C4' energy: -65.941
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -83.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1007.033367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.033367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.033367 (E_RNA)
where:
Base-Base interactions energy: -700.982
where: short stacking energy: -308.179
Base-Backbone interact. energy: -1.448
local terms energy: -304.603559
where:
bonds (distance) C4'-P energy: -46.596
bonds (distance) P-C4' energy: -67.319
flat angles C4'-P-C4' energy: -59.470
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -80.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -969.424113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.424113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.424113 (E_RNA)
where:
Base-Base interactions energy: -684.761
where: short stacking energy: -306.167
Base-Backbone interact. energy: -1.588
local terms energy: -283.074795
where:
bonds (distance) C4'-P energy: -50.939
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -65.592
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -888.817545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.817545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.817545 (E_RNA)
where:
Base-Base interactions energy: -611.611
where: short stacking energy: -256.426
Base-Backbone interact. energy: 1.046
local terms energy: -278.253283
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -68.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -857.846083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.846083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.846083 (E_RNA)
where:
Base-Base interactions energy: -598.855
where: short stacking energy: -274.166
Base-Backbone interact. energy: -1.087
local terms energy: -257.904079
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -36.232
tors. eta vs tors. theta energy: -64.547
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: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -814.672075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.672075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.672075 (E_RNA)
where:
Base-Base interactions energy: -537.938
where: short stacking energy: -231.339
Base-Backbone interact. energy: -1.667
local terms energy: -275.066556
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -45.114
flat angles C4'-P-C4' energy: -62.843
flat angles P-C4'-P energy: -44.555
tors. eta vs tors. theta energy: -63.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -547.236830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.236830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.236830 (E_RNA)
where:
Base-Base interactions energy: -346.667
where: short stacking energy: -177.617
Base-Backbone interact. energy: 2.183
local terms energy: -202.752345
where:
bonds (distance) C4'-P energy: -44.821
bonds (distance) P-C4' energy: -41.681
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -26.049
tors. eta vs tors. theta energy: -34.069
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: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -422.416960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.416960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.416960 (E_RNA)
where:
Base-Base interactions energy: -249.851
where: short stacking energy: -140.761
Base-Backbone interact. energy: 0.217
local terms energy: -172.783166
where:
bonds (distance) C4'-P energy: -37.061
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -47.082
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1089.477420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.477420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.477420 (E_RNA)
where:
Base-Base interactions energy: -770.457
where: short stacking energy: -326.165
Base-Backbone interact. energy: -1.706
local terms energy: -317.314584
where:
bonds (distance) C4'-P energy: -65.477
bonds (distance) P-C4' energy: -57.275
flat angles C4'-P-C4' energy: -68.422
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -91.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1042.240017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.240017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.240017 (E_RNA)
where:
Base-Base interactions energy: -735.489
where: short stacking energy: -328.099
Base-Backbone interact. energy: 1.961
local terms energy: -308.711523
where:
bonds (distance) C4'-P energy: -57.472
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -69.018
flat angles P-C4'-P energy: -39.802
tors. eta vs tors. theta energy: -85.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1071.183627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.183627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.183627 (E_RNA)
where:
Base-Base interactions energy: -738.370
where: short stacking energy: -321.318
Base-Backbone interact. energy: 1.093
local terms energy: -333.906613
where:
bonds (distance) C4'-P energy: -68.846
bonds (distance) P-C4' energy: -55.396
flat angles C4'-P-C4' energy: -71.240
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -96.203
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: 7
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1001.454641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.454641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.454641 (E_RNA)
where:
Base-Base interactions energy: -702.106
where: short stacking energy: -282.582
Base-Backbone interact. energy: -1.625
local terms energy: -297.723182
where:
bonds (distance) C4'-P energy: -55.357
bonds (distance) P-C4' energy: -51.464
flat angles C4'-P-C4' energy: -67.933
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -83.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -932.939173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.939173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.939173 (E_RNA)
where:
Base-Base interactions energy: -635.093
where: short stacking energy: -275.371
Base-Backbone interact. energy: -0.385
local terms energy: -297.461221
where:
bonds (distance) C4'-P energy: -53.223
bonds (distance) P-C4' energy: -62.227
flat angles C4'-P-C4' energy: -66.433
flat angles P-C4'-P energy: -33.598
tors. eta vs tors. theta energy: -81.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -928.073424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.073424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.073424 (E_RNA)
where:
Base-Base interactions energy: -631.474
where: short stacking energy: -299.702
Base-Backbone interact. energy: -2.050
local terms energy: -294.549265
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -62.399
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: -80.590
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: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -834.614606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.614606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.614606 (E_RNA)
where:
Base-Base interactions energy: -577.365
where: short stacking energy: -263.180
Base-Backbone interact. energy: -2.293
local terms energy: -254.956251
where:
bonds (distance) C4'-P energy: -47.676
bonds (distance) P-C4' energy: -49.029
flat angles C4'-P-C4' energy: -58.333
flat angles P-C4'-P energy: -29.408
tors. eta vs tors. theta energy: -70.510
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -781.390961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.390961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.390961 (E_RNA)
where:
Base-Base interactions energy: -525.600
where: short stacking energy: -242.699
Base-Backbone interact. energy: 6.305
local terms energy: -262.095679
where:
bonds (distance) C4'-P energy: -59.910
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -55.461
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -65.606
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -557.770614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.770614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.770614 (E_RNA)
where:
Base-Base interactions energy: -351.689
where: short stacking energy: -170.706
Base-Backbone interact. energy: 4.328
local terms energy: -210.409545
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -47.981
flat angles C4'-P-C4' energy: -42.748
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -32.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -424.536604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.536604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.536604 (E_RNA)
where:
Base-Base interactions energy: -231.649
where: short stacking energy: -114.128
Base-Backbone interact. energy: -0.640
local terms energy: -192.248232
where:
bonds (distance) C4'-P energy: -44.103
bonds (distance) P-C4' energy: -62.722
flat angles C4'-P-C4' energy: -54.717
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1127.840744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.840744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.840744 (E_RNA)
where:
Base-Base interactions energy: -795.249
where: short stacking energy: -348.083
Base-Backbone interact. energy: -0.506
local terms energy: -332.085156
where:
bonds (distance) C4'-P energy: -61.326
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -67.275
flat angles P-C4'-P energy: -41.902
tors. eta vs tors. theta energy: -101.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1033.669303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.669303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.669303 (E_RNA)
where:
Base-Base interactions energy: -717.349
where: short stacking energy: -304.228
Base-Backbone interact. energy: 0.607
local terms energy: -316.927890
where:
bonds (distance) C4'-P energy: -63.752
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -71.718
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: -82.019
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: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1094.738526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.738526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.738526 (E_RNA)
where:
Base-Base interactions energy: -784.587
where: short stacking energy: -326.351
Base-Backbone interact. energy: -0.268
local terms energy: -309.883797
where:
bonds (distance) C4'-P energy: -59.199
bonds (distance) P-C4' energy: -54.372
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -34.363
tors. eta vs tors. theta energy: -90.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -988.847766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.847766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.847766 (E_RNA)
where:
Base-Base interactions energy: -699.624
where: short stacking energy: -298.118
Base-Backbone interact. energy: -1.658
local terms energy: -287.565464
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -68.054
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -88.128
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: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -955.751305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.751305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.751305 (E_RNA)
where:
Base-Base interactions energy: -649.773
where: short stacking energy: -261.234
Base-Backbone interact. energy: -1.934
local terms energy: -304.044954
where:
bonds (distance) C4'-P energy: -58.911
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -63.336
flat angles P-C4'-P energy: -44.641
tors. eta vs tors. theta energy: -77.388
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: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -893.107626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.107626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.107626 (E_RNA)
where:
Base-Base interactions energy: -613.393
where: short stacking energy: -265.444
Base-Backbone interact. energy: -0.204
local terms energy: -279.510735
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -38.460
flat angles C4'-P-C4' energy: -65.641
flat angles P-C4'-P energy: -38.505
tors. eta vs tors. theta energy: -74.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -872.085707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.085707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.085707 (E_RNA)
where:
Base-Base interactions energy: -579.323
where: short stacking energy: -256.767
Base-Backbone interact. energy: -1.837
local terms energy: -290.926179
where:
bonds (distance) C4'-P energy: -61.211
bonds (distance) P-C4' energy: -64.410
flat angles C4'-P-C4' energy: -59.034
flat angles P-C4'-P energy: -33.233
tors. eta vs tors. theta energy: -73.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -804.315411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.315411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.315411 (E_RNA)
where:
Base-Base interactions energy: -546.449
where: short stacking energy: -243.124
Base-Backbone interact. energy: -1.470
local terms energy: -256.395945
where:
bonds (distance) C4'-P energy: -49.285
bonds (distance) P-C4' energy: -56.486
flat angles C4'-P-C4' energy: -57.754
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -60.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -559.919864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.919864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.919864 (E_RNA)
where:
Base-Base interactions energy: -363.244
where: short stacking energy: -162.009
Base-Backbone interact. energy: -1.208
local terms energy: -195.468374
where:
bonds (distance) C4'-P energy: -41.962
bonds (distance) P-C4' energy: -48.300
flat angles C4'-P-C4' energy: -51.019
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -28.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -432.058086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.058086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.058086 (E_RNA)
where:
Base-Base interactions energy: -233.590
where: short stacking energy: -142.017
Base-Backbone interact. energy: -1.091
local terms energy: -197.377458
where:
bonds (distance) C4'-P energy: -43.141
bonds (distance) P-C4' energy: -59.447
flat angles C4'-P-C4' energy: -43.732
flat angles P-C4'-P energy: -26.166
tors. eta vs tors. theta energy: -24.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1114.260795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.260795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.260795 (E_RNA)
where:
Base-Base interactions energy: -785.961
where: short stacking energy: -348.243
Base-Backbone interact. energy: -0.748
local terms energy: -327.552099
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -57.673
flat angles C4'-P-C4' energy: -71.998
flat angles P-C4'-P energy: -40.810
tors. eta vs tors. theta energy: -100.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1121.683155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.683155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.683155 (E_RNA)
where:
Base-Base interactions energy: -799.969
where: short stacking energy: -329.460
Base-Backbone interact. energy: -1.833
local terms energy: -319.880831
where:
bonds (distance) C4'-P energy: -61.489
bonds (distance) P-C4' energy: -60.964
flat angles C4'-P-C4' energy: -60.648
flat angles P-C4'-P energy: -42.415
tors. eta vs tors. theta energy: -94.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1022.438786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.438786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.438786 (E_RNA)
where:
Base-Base interactions energy: -722.058
where: short stacking energy: -295.481
Base-Backbone interact. energy: -1.603
local terms energy: -298.777593
where:
bonds (distance) C4'-P energy: -48.790
bonds (distance) P-C4' energy: -60.365
flat angles C4'-P-C4' energy: -65.803
flat angles P-C4'-P energy: -45.532
tors. eta vs tors. theta energy: -78.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -976.950228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.950228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.950228 (E_RNA)
where:
Base-Base interactions energy: -681.315
where: short stacking energy: -316.125
Base-Backbone interact. energy: -0.415
local terms energy: -295.220275
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -60.980
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -82.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -949.844857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.844857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.844857 (E_RNA)
where:
Base-Base interactions energy: -666.427
where: short stacking energy: -278.451
Base-Backbone interact. energy: -0.768
local terms energy: -282.650184
where:
bonds (distance) C4'-P energy: -64.046
bonds (distance) P-C4' energy: -55.031
flat angles C4'-P-C4' energy: -59.171
flat angles P-C4'-P energy: -31.729
tors. eta vs tors. theta energy: -72.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -913.717196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.717196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.717196 (E_RNA)
where:
Base-Base interactions energy: -629.013
where: short stacking energy: -260.680
Base-Backbone interact. energy: -1.125
local terms energy: -283.579789
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -50.480
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -39.970
tors. eta vs tors. theta energy: -74.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -852.341015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.341015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.341015 (E_RNA)
where:
Base-Base interactions energy: -586.749
where: short stacking energy: -250.632
Base-Backbone interact. energy: 0.880
local terms energy: -266.471553
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -53.446
flat angles C4'-P-C4' energy: -60.175
flat angles P-C4'-P energy: -34.623
tors. eta vs tors. theta energy: -64.134
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: 8, replica: 5
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -787.145876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.145876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.145876 (E_RNA)
where:
Base-Base interactions energy: -543.864
where: short stacking energy: -247.077
Base-Backbone interact. energy: -1.959
local terms energy: -241.323056
where:
bonds (distance) C4'-P energy: -46.395
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -53.391
flat angles P-C4'-P energy: -32.823
tors. eta vs tors. theta energy: -60.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -544.763137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.763137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.763137 (E_RNA)
where:
Base-Base interactions energy: -332.362
where: short stacking energy: -166.561
Base-Backbone interact. energy: -2.842
local terms energy: -209.558502
where:
bonds (distance) C4'-P energy: -37.619
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -51.326
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -31.570
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: 135
Temperature: 1.350000
Total energy: -400.965616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.965616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.965616 (E_RNA)
where:
Base-Base interactions energy: -228.519
where: short stacking energy: -108.967
Base-Backbone interact. energy: 1.186
local terms energy: -173.632763
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -56.251
flat angles C4'-P-C4' energy: -43.717
flat angles P-C4'-P energy: -23.693
tors. eta vs tors. theta energy: 0.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1138.454858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.454858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.454858 (E_RNA)
where:
Base-Base interactions energy: -804.650
where: short stacking energy: -338.599
Base-Backbone interact. energy: -0.568
local terms energy: -333.236185
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -62.896
flat angles C4'-P-C4' energy: -69.823
flat angles P-C4'-P energy: -41.878
tors. eta vs tors. theta energy: -98.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1125.268889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.268889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.268889 (E_RNA)
where:
Base-Base interactions energy: -783.449
where: short stacking energy: -350.608
Base-Backbone interact. energy: -0.492
local terms energy: -341.327966
where:
bonds (distance) C4'-P energy: -58.509
bonds (distance) P-C4' energy: -68.731
flat angles C4'-P-C4' energy: -72.308
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -102.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1000.799564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.799564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.799564 (E_RNA)
where:
Base-Base interactions energy: -681.101
where: short stacking energy: -299.522
Base-Backbone interact. energy: 1.056
local terms energy: -320.754304
where:
bonds (distance) C4'-P energy: -59.091
bonds (distance) P-C4' energy: -63.864
flat angles C4'-P-C4' energy: -72.048
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -81.795
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: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1015.987427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.987427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.987427 (E_RNA)
where:
Base-Base interactions energy: -709.690
where: short stacking energy: -296.104
Base-Backbone interact. energy: -0.056
local terms energy: -306.242315
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -59.929
flat angles C4'-P-C4' energy: -66.670
flat angles P-C4'-P energy: -43.414
tors. eta vs tors. theta energy: -86.134
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: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -924.258331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.258331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.258331 (E_RNA)
where:
Base-Base interactions energy: -656.940
where: short stacking energy: -277.941
Base-Backbone interact. energy: -1.060
local terms energy: -266.258081
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -49.328
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -77.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -922.412191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.412191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.412191 (E_RNA)
where:
Base-Base interactions energy: -641.712
where: short stacking energy: -282.661
Base-Backbone interact. energy: -0.420
local terms energy: -280.280085
where:
bonds (distance) C4'-P energy: -40.040
bonds (distance) P-C4' energy: -59.005
flat angles C4'-P-C4' energy: -57.186
flat angles P-C4'-P energy: -48.081
tors. eta vs tors. theta energy: -75.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -840.905618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.905618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.905618 (E_RNA)
where:
Base-Base interactions energy: -607.868
where: short stacking energy: -262.008
Base-Backbone interact. energy: -2.507
local terms energy: -230.530066
where:
bonds (distance) C4'-P energy: -44.204
bonds (distance) P-C4' energy: -54.592
flat angles C4'-P-C4' energy: -49.528
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -57.205
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: 5
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -744.280722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.280722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.280722 (E_RNA)
where:
Base-Base interactions energy: -504.847
where: short stacking energy: -223.686
Base-Backbone interact. energy: -1.515
local terms energy: -237.919046
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -34.860
tors. eta vs tors. theta energy: -47.744
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: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -541.425611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.425611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.425611 (E_RNA)
where:
Base-Base interactions energy: -330.175
where: short stacking energy: -150.682
Base-Backbone interact. energy: -1.644
local terms energy: -209.606736
where:
bonds (distance) C4'-P energy: -49.960
bonds (distance) P-C4' energy: -45.686
flat angles C4'-P-C4' energy: -49.173
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -404.808119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.808119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.808119 (E_RNA)
where:
Base-Base interactions energy: -222.128
where: short stacking energy: -126.976
Base-Backbone interact. energy: 1.490
local terms energy: -184.170325
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -54.306
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -25.298
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1120.553196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.553196 (E_RNA)
where:
Base-Base interactions energy: -796.356
where: short stacking energy: -336.439
Base-Backbone interact. energy: 0.768
local terms energy: -324.965688
where:
bonds (distance) C4'-P energy: -62.848
bonds (distance) P-C4' energy: -56.408
flat angles C4'-P-C4' energy: -73.208
flat angles P-C4'-P energy: -41.155
tors. eta vs tors. theta energy: -91.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1088.419765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.419765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.419765 (E_RNA)
where:
Base-Base interactions energy: -769.254
where: short stacking energy: -314.635
Base-Backbone interact. energy: -2.213
local terms energy: -316.952111
where:
bonds (distance) C4'-P energy: -66.271
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -57.424
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -93.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1003.088513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.088513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.088513 (E_RNA)
where:
Base-Base interactions energy: -693.531
where: short stacking energy: -300.169
Base-Backbone interact. energy: -1.538
local terms energy: -308.019711
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -57.584
flat angles C4'-P-C4' energy: -63.043
flat angles P-C4'-P energy: -44.704
tors. eta vs tors. theta energy: -87.554
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: 3
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -985.206101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.206101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.206101 (E_RNA)
where:
Base-Base interactions energy: -688.272
where: short stacking energy: -291.992
Base-Backbone interact. energy: 0.355
local terms energy: -297.289080
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -58.124
flat angles C4'-P-C4' energy: -63.940
flat angles P-C4'-P energy: -42.306
tors. eta vs tors. theta energy: -77.884
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: 137
Temperature: 1.100000
Total energy: -929.320254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.320254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.320254 (E_RNA)
where:
Base-Base interactions energy: -629.200
where: short stacking energy: -283.063
Base-Backbone interact. energy: -1.316
local terms energy: -298.804451
where:
bonds (distance) C4'-P energy: -63.069
bonds (distance) P-C4' energy: -54.841
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -35.897
tors. eta vs tors. theta energy: -83.568
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: 10
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -856.870078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.870078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.870078 (E_RNA)
where:
Base-Base interactions energy: -585.211
where: short stacking energy: -258.994
Base-Backbone interact. energy: -1.228
local terms energy: -270.430849
where:
bonds (distance) C4'-P energy: -49.416
bonds (distance) P-C4' energy: -52.867
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -42.511
tors. eta vs tors. theta energy: -77.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -891.215996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.215996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.215996 (E_RNA)
where:
Base-Base interactions energy: -611.362
where: short stacking energy: -267.328
Base-Backbone interact. energy: -0.468
local terms energy: -279.385682
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -54.017
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -66.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -753.270225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.270225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.270225 (E_RNA)
where:
Base-Base interactions energy: -509.615
where: short stacking energy: -241.080
Base-Backbone interact. energy: 1.113
local terms energy: -244.768774
where:
bonds (distance) C4'-P energy: -40.101
bonds (distance) P-C4' energy: -55.353
flat angles C4'-P-C4' energy: -54.265
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -60.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -544.066444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.066444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.066444 (E_RNA)
where:
Base-Base interactions energy: -361.643
where: short stacking energy: -159.195
Base-Backbone interact. energy: -0.663
local terms energy: -181.760397
where:
bonds (distance) C4'-P energy: -34.027
bonds (distance) P-C4' energy: -50.127
flat angles C4'-P-C4' energy: -23.963
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -424.098530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.098530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.098530 (E_RNA)
where:
Base-Base interactions energy: -240.139
where: short stacking energy: -130.992
Base-Backbone interact. energy: -0.954
local terms energy: -183.005497
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -50.525
flat angles C4'-P-C4' energy: -53.430
flat angles P-C4'-P energy: -23.487
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1110.383630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.383630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.383630 (E_RNA)
where:
Base-Base interactions energy: -769.672
where: short stacking energy: -328.200
Base-Backbone interact. energy: -2.770
local terms energy: -337.941865
where:
bonds (distance) C4'-P energy: -58.378
bonds (distance) P-C4' energy: -61.750
flat angles C4'-P-C4' energy: -68.320
flat angles P-C4'-P energy: -53.060
tors. eta vs tors. theta energy: -96.434
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: 2, replica: 6
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1075.635320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.635320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.635320 (E_RNA)
where:
Base-Base interactions energy: -743.240
where: short stacking energy: -324.969
Base-Backbone interact. energy: -2.120
local terms energy: -330.276173
where:
bonds (distance) C4'-P energy: -53.262
bonds (distance) P-C4' energy: -61.240
flat angles C4'-P-C4' energy: -75.943
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -95.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1012.189664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.189664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.189664 (E_RNA)
where:
Base-Base interactions energy: -700.544
where: short stacking energy: -311.688
Base-Backbone interact. energy: -1.796
local terms energy: -309.849816
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -55.058
flat angles C4'-P-C4' energy: -68.120
flat angles P-C4'-P energy: -44.661
tors. eta vs tors. theta energy: -89.892
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: 4, replica: 3
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -999.534813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.534813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.534813 (E_RNA)
where:
Base-Base interactions energy: -696.425
where: short stacking energy: -298.604
Base-Backbone interact. energy: -2.407
local terms energy: -300.702567
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -59.046
flat angles C4'-P-C4' energy: -60.862
flat angles P-C4'-P energy: -40.016
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: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -969.904299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.904299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.904299 (E_RNA)
where:
Base-Base interactions energy: -673.327
where: short stacking energy: -283.326
Base-Backbone interact. energy: -0.087
local terms energy: -296.490427
where:
bonds (distance) C4'-P energy: -61.270
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -62.086
flat angles P-C4'-P energy: -45.082
tors. eta vs tors. theta energy: -78.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -880.963129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.963129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.963129 (E_RNA)
where:
Base-Base interactions energy: -604.841
where: short stacking energy: -264.128
Base-Backbone interact. energy: -1.507
local terms energy: -274.614889
where:
bonds (distance) C4'-P energy: -51.740
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -58.651
flat angles P-C4'-P energy: -41.007
tors. eta vs tors. theta energy: -79.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -873.763819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.763819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.763819 (E_RNA)
where:
Base-Base interactions energy: -602.945
where: short stacking energy: -260.498
Base-Backbone interact. energy: -0.342
local terms energy: -270.476783
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -46.753
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -71.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -770.589675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.589675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.589675 (E_RNA)
where:
Base-Base interactions energy: -502.938
where: short stacking energy: -230.826
Base-Backbone interact. energy: -1.075
local terms energy: -266.576593
where:
bonds (distance) C4'-P energy: -47.944
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -59.948
flat angles P-C4'-P energy: -36.934
tors. eta vs tors. theta energy: -67.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -516.134837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.134837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.134837 (E_RNA)
where:
Base-Base interactions energy: -309.279
where: short stacking energy: -172.349
Base-Backbone interact. energy: 1.616
local terms energy: -208.471984
where:
bonds (distance) C4'-P energy: -44.712
bonds (distance) P-C4' energy: -50.446
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -28.132
tors. eta vs tors. theta energy: -29.875
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: 138
Temperature: 1.350000
Total energy: -450.720339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.720339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.720339 (E_RNA)
where:
Base-Base interactions energy: -249.616
where: short stacking energy: -128.144
Base-Backbone interact. energy: -1.967
local terms energy: -199.136710
where:
bonds (distance) C4'-P energy: -49.374
bonds (distance) P-C4' energy: -55.124
flat angles C4'-P-C4' energy: -49.478
flat angles P-C4'-P energy: -39.188
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1103.474979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.474979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.474979 (E_RNA)
where:
Base-Base interactions energy: -771.234
where: short stacking energy: -319.010
Base-Backbone interact. energy: 1.267
local terms energy: -333.507848
where:
bonds (distance) C4'-P energy: -57.899
bonds (distance) P-C4' energy: -59.109
flat angles C4'-P-C4' energy: -71.319
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -97.233
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: 6
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1066.523750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.523750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.523750 (E_RNA)
where:
Base-Base interactions energy: -732.557
where: short stacking energy: -321.493
Base-Backbone interact. energy: -1.349
local terms energy: -332.618056
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -70.080
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -88.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1027.737622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.737622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.737622 (E_RNA)
where:
Base-Base interactions energy: -703.519
where: short stacking energy: -314.578
Base-Backbone interact. energy: -1.833
local terms energy: -322.386487
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -53.697
flat angles C4'-P-C4' energy: -74.093
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -96.743
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: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -989.507819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.507819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.507819 (E_RNA)
where:
Base-Base interactions energy: -677.638
where: short stacking energy: -282.379
Base-Backbone interact. energy: -1.822
local terms energy: -310.047502
where:
bonds (distance) C4'-P energy: -57.220
bonds (distance) P-C4' energy: -55.759
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -48.535
tors. eta vs tors. theta energy: -77.750
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: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -970.390375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.390375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.390375 (E_RNA)
where:
Base-Base interactions energy: -656.915
where: short stacking energy: -286.771
Base-Backbone interact. energy: -0.411
local terms energy: -313.064479
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -70.393
flat angles P-C4'-P energy: -48.730
tors. eta vs tors. theta energy: -80.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -893.637540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.637540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.637540 (E_RNA)
where:
Base-Base interactions energy: -606.195
where: short stacking energy: -262.875
Base-Backbone interact. energy: -0.304
local terms energy: -287.138591
where:
bonds (distance) C4'-P energy: -59.312
bonds (distance) P-C4' energy: -46.272
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -73.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -832.032096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.032096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.032096 (E_RNA)
where:
Base-Base interactions energy: -573.859
where: short stacking energy: -245.545
Base-Backbone interact. energy: -0.776
local terms energy: -257.396465
where:
bonds (distance) C4'-P energy: -55.003
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -48.606
flat angles P-C4'-P energy: -28.377
tors. eta vs tors. theta energy: -64.658
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: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -762.644108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.644108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.644108 (E_RNA)
where:
Base-Base interactions energy: -518.672
where: short stacking energy: -254.170
Base-Backbone interact. energy: -1.177
local terms energy: -242.795490
where:
bonds (distance) C4'-P energy: -41.696
bonds (distance) P-C4' energy: -54.841
flat angles C4'-P-C4' energy: -50.950
flat angles P-C4'-P energy: -25.750
tors. eta vs tors. theta energy: -69.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -552.020713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.020713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.020713 (E_RNA)
where:
Base-Base interactions energy: -323.664
where: short stacking energy: -164.456
Base-Backbone interact. energy: -1.458
local terms energy: -226.898434
where:
bonds (distance) C4'-P energy: -45.504
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -35.577
tors. eta vs tors. theta energy: -31.064
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: 139
Temperature: 1.350000
Total energy: -483.702530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.702530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.702530 (E_RNA)
where:
Base-Base interactions energy: -285.199
where: short stacking energy: -154.101
Base-Backbone interact. energy: -0.738
local terms energy: -197.765160
where:
bonds (distance) C4'-P energy: -35.577
bonds (distance) P-C4' energy: -58.586
flat angles C4'-P-C4' energy: -51.332
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -28.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1138.286440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.286440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.286440 (E_RNA)
where:
Base-Base interactions energy: -808.975
where: short stacking energy: -346.271
Base-Backbone interact. energy: -0.335
local terms energy: -328.976524
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -55.487
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -39.488
tors. eta vs tors. theta energy: -101.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1092.685036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.685036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.685036 (E_RNA)
where:
Base-Base interactions energy: -751.133
where: short stacking energy: -327.745
Base-Backbone interact. energy: -1.540
local terms energy: -340.011266
where:
bonds (distance) C4'-P energy: -65.959
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -74.946
flat angles P-C4'-P energy: -48.662
tors. eta vs tors. theta energy: -94.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1008.070702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.070702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.070702 (E_RNA)
where:
Base-Base interactions energy: -693.964
where: short stacking energy: -307.894
Base-Backbone interact. energy: -1.050
local terms energy: -313.056348
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -68.817
flat angles P-C4'-P energy: -42.005
tors. eta vs tors. theta energy: -84.003
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1013.738142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.738142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.738142 (E_RNA)
where:
Base-Base interactions energy: -724.124
where: short stacking energy: -292.680
Base-Backbone interact. energy: -0.043
local terms energy: -289.571030
where:
bonds (distance) C4'-P energy: -64.924
bonds (distance) P-C4' energy: -46.928
flat angles C4'-P-C4' energy: -56.947
flat angles P-C4'-P energy: -33.952
tors. eta vs tors. theta energy: -86.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -958.077336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.077336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.077336 (E_RNA)
where:
Base-Base interactions energy: -678.708
where: short stacking energy: -293.483
Base-Backbone interact. energy: -1.053
local terms energy: -278.316503
where:
bonds (distance) C4'-P energy: -44.975
bonds (distance) P-C4' energy: -51.191
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: -78.537
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: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -888.699739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.699739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.699739 (E_RNA)
where:
Base-Base interactions energy: -611.202
where: short stacking energy: -271.232
Base-Backbone interact. energy: -0.974
local terms energy: -276.523729
where:
bonds (distance) C4'-P energy: -46.906
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -59.656
flat angles P-C4'-P energy: -42.179
tors. eta vs tors. theta energy: -72.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -826.619539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.619539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.619539 (E_RNA)
where:
Base-Base interactions energy: -561.700
where: short stacking energy: -244.993
Base-Backbone interact. energy: -1.184
local terms energy: -263.735255
where:
bonds (distance) C4'-P energy: -49.981
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -40.072
tors. eta vs tors. theta energy: -59.986
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: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -779.204553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.204553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.204553 (E_RNA)
where:
Base-Base interactions energy: -512.607
where: short stacking energy: -228.099
Base-Backbone interact. energy: -1.954
local terms energy: -264.643630
where:
bonds (distance) C4'-P energy: -53.027
bonds (distance) P-C4' energy: -59.100
flat angles C4'-P-C4' energy: -53.077
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -63.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -550.114683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.114683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.114683 (E_RNA)
where:
Base-Base interactions energy: -331.976
where: short stacking energy: -165.516
Base-Backbone interact. energy: 0.410
local terms energy: -218.547798
where:
bonds (distance) C4'-P energy: -63.991
bonds (distance) P-C4' energy: -48.089
flat angles C4'-P-C4' energy: -46.996
flat angles P-C4'-P energy: -25.776
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -420.935395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.935395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.935395 (E_RNA)
where:
Base-Base interactions energy: -217.279
where: short stacking energy: -113.884
Base-Backbone interact. energy: -2.574
local terms energy: -201.082105
where:
bonds (distance) C4'-P energy: -58.769
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -47.457
flat angles P-C4'-P energy: -22.393
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1136.111295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.111295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.111295 (E_RNA)
where:
Base-Base interactions energy: -806.055
where: short stacking energy: -348.428
Base-Backbone interact. energy: -0.758
local terms energy: -329.298209
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -56.778
flat angles C4'-P-C4' energy: -70.687
flat angles P-C4'-P energy: -49.990
tors. eta vs tors. theta energy: -98.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1095.443552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.443552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.443552 (E_RNA)
where:
Base-Base interactions energy: -758.610
where: short stacking energy: -331.837
Base-Backbone interact. energy: -1.214
local terms energy: -335.620000
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -67.027
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -44.141
tors. eta vs tors. theta energy: -100.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1021.996358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.996358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.996358 (E_RNA)
where:
Base-Base interactions energy: -717.290
where: short stacking energy: -311.637
Base-Backbone interact. energy: -1.707
local terms energy: -302.999313
where:
bonds (distance) C4'-P energy: -46.594
bonds (distance) P-C4' energy: -62.898
flat angles C4'-P-C4' energy: -68.351
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -84.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1004.061707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.061707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.061707 (E_RNA)
where:
Base-Base interactions energy: -696.420
where: short stacking energy: -279.636
Base-Backbone interact. energy: -1.968
local terms energy: -305.673230
where:
bonds (distance) C4'-P energy: -56.421
bonds (distance) P-C4' energy: -64.424
flat angles C4'-P-C4' energy: -68.152
flat angles P-C4'-P energy: -39.011
tors. eta vs tors. theta energy: -77.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -976.363811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.363811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.363811 (E_RNA)
where:
Base-Base interactions energy: -695.830
where: short stacking energy: -295.549
Base-Backbone interact. energy: -2.023
local terms energy: -278.510396
where:
bonds (distance) C4'-P energy: -43.699
bonds (distance) P-C4' energy: -58.829
flat angles C4'-P-C4' energy: -69.319
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -76.368
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: 10
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -886.455291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.455291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.455291 (E_RNA)
where:
Base-Base interactions energy: -603.032
where: short stacking energy: -273.346
Base-Backbone interact. energy: 0.406
local terms energy: -283.830140
where:
bonds (distance) C4'-P energy: -64.722
bonds (distance) P-C4' energy: -53.737
flat angles C4'-P-C4' energy: -54.794
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -68.734
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: 9
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -858.835847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.835847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.835847 (E_RNA)
where:
Base-Base interactions energy: -572.114
where: short stacking energy: -259.984
Base-Backbone interact. energy: 3.862
local terms energy: -290.583799
where:
bonds (distance) C4'-P energy: -51.967
bonds (distance) P-C4' energy: -63.941
flat angles C4'-P-C4' energy: -61.184
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: -63.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -787.449489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.449489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.449489 (E_RNA)
where:
Base-Base interactions energy: -534.744
where: short stacking energy: -247.584
Base-Backbone interact. energy: -0.555
local terms energy: -252.150134
where:
bonds (distance) C4'-P energy: -47.604
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -57.620
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: -70.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -549.029344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.029344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.029344 (E_RNA)
where:
Base-Base interactions energy: -345.161
where: short stacking energy: -167.323
Base-Backbone interact. energy: 1.431
local terms energy: -205.299628
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -51.569
flat angles P-C4'-P energy: -26.582
tors. eta vs tors. theta energy: -29.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -416.501556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.501556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.501556 (E_RNA)
where:
Base-Base interactions energy: -229.492
where: short stacking energy: -119.844
Base-Backbone interact. energy: -0.634
local terms energy: -186.376056
where:
bonds (distance) C4'-P energy: -46.339
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -46.481
flat angles P-C4'-P energy: -23.254
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1094.326684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.326684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.326684 (E_RNA)
where:
Base-Base interactions energy: -752.645
where: short stacking energy: -334.787
Base-Backbone interact. energy: -1.085
local terms energy: -340.596767
where:
bonds (distance) C4'-P energy: -59.386
bonds (distance) P-C4' energy: -61.754
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -47.622
tors. eta vs tors. theta energy: -97.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1122.826787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.826787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.826787 (E_RNA)
where:
Base-Base interactions energy: -805.658
where: short stacking energy: -343.000
Base-Backbone interact. energy: -0.612
local terms energy: -316.556887
where:
bonds (distance) C4'-P energy: -50.871
bonds (distance) P-C4' energy: -64.642
flat angles C4'-P-C4' energy: -67.953
flat angles P-C4'-P energy: -40.278
tors. eta vs tors. theta energy: -92.812
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: 7
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1017.291411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.291411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.291411 (E_RNA)
where:
Base-Base interactions energy: -712.184
where: short stacking energy: -289.679
Base-Backbone interact. energy: -1.344
local terms energy: -303.763043
where:
bonds (distance) C4'-P energy: -54.226
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -43.559
tors. eta vs tors. theta energy: -80.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -993.655674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.655674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.655674 (E_RNA)
where:
Base-Base interactions energy: -700.257
where: short stacking energy: -296.376
Base-Backbone interact. energy: -1.698
local terms energy: -291.700168
where:
bonds (distance) C4'-P energy: -52.987
bonds (distance) P-C4' energy: -57.340
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -38.909
tors. eta vs tors. theta energy: -83.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -949.928094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.928094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.928094 (E_RNA)
where:
Base-Base interactions energy: -666.381
where: short stacking energy: -281.300
Base-Backbone interact. energy: 0.211
local terms energy: -283.758588
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -53.175
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -77.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -881.999841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.999841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.999841 (E_RNA)
where:
Base-Base interactions energy: -596.710
where: short stacking energy: -259.290
Base-Backbone interact. energy: -0.162
local terms energy: -285.127897
where:
bonds (distance) C4'-P energy: -54.165
bonds (distance) P-C4' energy: -61.382
flat angles C4'-P-C4' energy: -60.560
flat angles P-C4'-P energy: -37.078
tors. eta vs tors. theta energy: -71.943
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: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -849.379811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.379811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.379811 (E_RNA)
where:
Base-Base interactions energy: -570.640
where: short stacking energy: -258.007
Base-Backbone interact. energy: 0.587
local terms energy: -279.327128
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -64.314
flat angles P-C4'-P energy: -41.655
tors. eta vs tors. theta energy: -71.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -784.612776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.612776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.612776 (E_RNA)
where:
Base-Base interactions energy: -531.173
where: short stacking energy: -230.647
Base-Backbone interact. energy: -2.137
local terms energy: -251.302155
where:
bonds (distance) C4'-P energy: -47.370
bonds (distance) P-C4' energy: -57.090
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -32.891
tors. eta vs tors. theta energy: -51.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -557.720921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.720921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.720921 (E_RNA)
where:
Base-Base interactions energy: -322.991
where: short stacking energy: -171.657
Base-Backbone interact. energy: 0.666
local terms energy: -235.395899
where:
bonds (distance) C4'-P energy: -56.057
bonds (distance) P-C4' energy: -53.537
flat angles C4'-P-C4' energy: -57.283
flat angles P-C4'-P energy: -26.700
tors. eta vs tors. theta energy: -41.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -426.750541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.750541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.750541 (E_RNA)
where:
Base-Base interactions energy: -250.327
where: short stacking energy: -120.545
Base-Backbone interact. energy: -0.663
local terms energy: -175.760560
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -41.605
flat angles C4'-P-C4' energy: -44.719
flat angles P-C4'-P energy: -29.543
tors. eta vs tors. theta energy: -8.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1089.515551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.515551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.515551 (E_RNA)
where:
Base-Base interactions energy: -755.840
where: short stacking energy: -336.310
Base-Backbone interact. energy: -0.758
local terms energy: -332.917862
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -64.740
flat angles C4'-P-C4' energy: -67.254
flat angles P-C4'-P energy: -47.367
tors. eta vs tors. theta energy: -93.154
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: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1108.192442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.192442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.192442 (E_RNA)
where:
Base-Base interactions energy: -781.326
where: short stacking energy: -335.214
Base-Backbone interact. energy: 0.175
local terms energy: -327.041694
where:
bonds (distance) C4'-P energy: -68.247
bonds (distance) P-C4' energy: -53.746
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -43.371
tors. eta vs tors. theta energy: -94.994
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: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1031.662221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.662221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.662221 (E_RNA)
where:
Base-Base interactions energy: -727.308
where: short stacking energy: -296.946
Base-Backbone interact. energy: -1.529
local terms energy: -302.825224
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -56.143
flat angles C4'-P-C4' energy: -63.066
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -86.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1002.840506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.840506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.840506 (E_RNA)
where:
Base-Base interactions energy: -698.192
where: short stacking energy: -295.186
Base-Backbone interact. energy: 1.188
local terms energy: -305.836355
where:
bonds (distance) C4'-P energy: -55.912
bonds (distance) P-C4' energy: -63.773
flat angles C4'-P-C4' energy: -66.904
flat angles P-C4'-P energy: -41.000
tors. eta vs tors. theta energy: -78.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -945.701365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.701365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.701365 (E_RNA)
where:
Base-Base interactions energy: -649.096
where: short stacking energy: -278.698
Base-Backbone interact. energy: -1.745
local terms energy: -294.860143
where:
bonds (distance) C4'-P energy: -51.088
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -62.424
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: -80.212
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: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -915.234625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.234625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.234625 (E_RNA)
where:
Base-Base interactions energy: -626.754
where: short stacking energy: -282.300
Base-Backbone interact. energy: -2.603
local terms energy: -285.877560
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -49.944
flat angles C4'-P-C4' energy: -57.465
flat angles P-C4'-P energy: -40.506
tors. eta vs tors. theta energy: -78.295
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: 10
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -839.251558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.251558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.251558 (E_RNA)
where:
Base-Base interactions energy: -584.165
where: short stacking energy: -262.169
Base-Backbone interact. energy: -1.678
local terms energy: -253.409077
where:
bonds (distance) C4'-P energy: -52.217
bonds (distance) P-C4' energy: -45.709
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -64.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -804.090414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.090414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.090414 (E_RNA)
where:
Base-Base interactions energy: -524.378
where: short stacking energy: -224.902
Base-Backbone interact. energy: -2.984
local terms energy: -276.728176
where:
bonds (distance) C4'-P energy: -60.559
bonds (distance) P-C4' energy: -57.096
flat angles C4'-P-C4' energy: -60.470
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -63.284
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: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -521.359296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.359296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.359296 (E_RNA)
where:
Base-Base interactions energy: -313.478
where: short stacking energy: -161.591
Base-Backbone interact. energy: 2.475
local terms energy: -210.356482
where:
bonds (distance) C4'-P energy: -49.472
bonds (distance) P-C4' energy: -53.863
flat angles C4'-P-C4' energy: -53.207
flat angles P-C4'-P energy: -26.437
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -459.171570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.171570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.171570 (E_RNA)
where:
Base-Base interactions energy: -267.556
where: short stacking energy: -152.469
Base-Backbone interact. energy: 1.648
local terms energy: -193.264014
where:
bonds (distance) C4'-P energy: -47.949
bonds (distance) P-C4' energy: -48.447
flat angles C4'-P-C4' energy: -53.690
flat angles P-C4'-P energy: -23.676
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1135.956533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.956533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.956533 (E_RNA)
where:
Base-Base interactions energy: -818.531
where: short stacking energy: -349.510
Base-Backbone interact. energy: -0.613
local terms energy: -316.812509
where:
bonds (distance) C4'-P energy: -58.931
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -65.477
flat angles P-C4'-P energy: -46.020
tors. eta vs tors. theta energy: -92.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1077.973758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.973758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.973758 (E_RNA)
where:
Base-Base interactions energy: -739.452
where: short stacking energy: -319.775
Base-Backbone interact. energy: -0.923
local terms energy: -337.598317
where:
bonds (distance) C4'-P energy: -61.943
bonds (distance) P-C4' energy: -62.722
flat angles C4'-P-C4' energy: -68.661
flat angles P-C4'-P energy: -48.775
tors. eta vs tors. theta energy: -95.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1037.331707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.331707 (E_RNA)
where:
Base-Base interactions energy: -724.186
where: short stacking energy: -300.422
Base-Backbone interact. energy: -2.598
local terms energy: -310.547829
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -63.433
flat angles C4'-P-C4' energy: -69.435
flat angles P-C4'-P energy: -36.396
tors. eta vs tors. theta energy: -86.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1003.268247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.268247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.268247 (E_RNA)
where:
Base-Base interactions energy: -711.804
where: short stacking energy: -282.700
Base-Backbone interact. energy: -0.674
local terms energy: -290.790802
where:
bonds (distance) C4'-P energy: -51.363
bonds (distance) P-C4' energy: -55.402
flat angles C4'-P-C4' energy: -69.546
flat angles P-C4'-P energy: -39.504
tors. eta vs tors. theta energy: -74.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -926.663740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.663740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.663740 (E_RNA)
where:
Base-Base interactions energy: -636.227
where: short stacking energy: -273.172
Base-Backbone interact. energy: -1.024
local terms energy: -289.412795
where:
bonds (distance) C4'-P energy: -59.764
bonds (distance) P-C4' energy: -53.897
flat angles C4'-P-C4' energy: -60.365
flat angles P-C4'-P energy: -41.966
tors. eta vs tors. theta energy: -73.420
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: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -969.352782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.352782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.352782 (E_RNA)
where:
Base-Base interactions energy: -672.906
where: short stacking energy: -289.767
Base-Backbone interact. energy: -2.259
local terms energy: -294.187330
where:
bonds (distance) C4'-P energy: -46.440
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -64.934
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -79.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -857.860664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.860664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.860664 (E_RNA)
where:
Base-Base interactions energy: -594.413
where: short stacking energy: -243.056
Base-Backbone interact. energy: 1.449
local terms energy: -264.896539
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -50.661
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -41.482
tors. eta vs tors. theta energy: -72.691
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: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -810.794224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.794224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.794224 (E_RNA)
where:
Base-Base interactions energy: -561.222
where: short stacking energy: -238.932
Base-Backbone interact. energy: -1.626
local terms energy: -247.946152
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -56.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -537.012829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.012829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.012829 (E_RNA)
where:
Base-Base interactions energy: -328.790
where: short stacking energy: -160.362
Base-Backbone interact. energy: -0.954
local terms energy: -207.268284
where:
bonds (distance) C4'-P energy: -48.930
bonds (distance) P-C4' energy: -55.150
flat angles C4'-P-C4' energy: -45.624
flat angles P-C4'-P energy: -21.728
tors. eta vs tors. theta energy: -35.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -443.534511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.534511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.534511 (E_RNA)
where:
Base-Base interactions energy: -260.657
where: short stacking energy: -135.810
Base-Backbone interact. energy: 2.198
local terms energy: -185.075355
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -49.959
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1132.400940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.400940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.400940 (E_RNA)
where:
Base-Base interactions energy: -791.976
where: short stacking energy: -342.625
Base-Backbone interact. energy: -1.342
local terms energy: -339.083180
where:
bonds (distance) C4'-P energy: -64.975
bonds (distance) P-C4' energy: -65.512
flat angles C4'-P-C4' energy: -73.387
flat angles P-C4'-P energy: -39.006
tors. eta vs tors. theta energy: -96.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1085.658167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.658167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.658167 (E_RNA)
where:
Base-Base interactions energy: -753.001
where: short stacking energy: -334.980
Base-Backbone interact. energy: -2.320
local terms energy: -330.337506
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -59.115
flat angles C4'-P-C4' energy: -70.024
flat angles P-C4'-P energy: -46.544
tors. eta vs tors. theta energy: -95.445
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: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1031.024877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.024877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.024877 (E_RNA)
where:
Base-Base interactions energy: -707.008
where: short stacking energy: -298.598
Base-Backbone interact. energy: -1.363
local terms energy: -322.654423
where:
bonds (distance) C4'-P energy: -64.178
bonds (distance) P-C4' energy: -62.745
flat angles C4'-P-C4' energy: -64.720
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -81.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -977.510737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.510737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.510737 (E_RNA)
where:
Base-Base interactions energy: -679.117
where: short stacking energy: -302.522
Base-Backbone interact. energy: -3.186
local terms energy: -295.207726
where:
bonds (distance) C4'-P energy: -54.124
bonds (distance) P-C4' energy: -57.621
flat angles C4'-P-C4' energy: -66.756
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -80.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -940.697363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.697363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.697363 (E_RNA)
where:
Base-Base interactions energy: -667.521
where: short stacking energy: -293.141
Base-Backbone interact. energy: 2.975
local terms energy: -276.151263
where:
bonds (distance) C4'-P energy: -43.201
bonds (distance) P-C4' energy: -53.363
flat angles C4'-P-C4' energy: -56.306
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -85.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -953.235876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.235876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.235876 (E_RNA)
where:
Base-Base interactions energy: -659.210
where: short stacking energy: -273.811
Base-Backbone interact. energy: 0.019
local terms energy: -294.045006
where:
bonds (distance) C4'-P energy: -53.096
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -54.923
flat angles P-C4'-P energy: -48.221
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: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -804.281085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.281085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.281085 (E_RNA)
where:
Base-Base interactions energy: -541.378
where: short stacking energy: -253.796
Base-Backbone interact. energy: -1.541
local terms energy: -261.361859
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -46.992
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -39.853
tors. eta vs tors. theta energy: -60.848
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: 145
Temperature: 1.250000
Total energy: -762.724742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.724742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.724742 (E_RNA)
where:
Base-Base interactions energy: -532.914
where: short stacking energy: -227.030
Base-Backbone interact. energy: -1.640
local terms energy: -228.170636
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -48.431
flat angles C4'-P-C4' energy: -51.308
flat angles P-C4'-P energy: -28.666
tors. eta vs tors. theta energy: -54.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -556.042457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.042457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.042457 (E_RNA)
where:
Base-Base interactions energy: -338.993
where: short stacking energy: -178.208
Base-Backbone interact. energy: -0.129
local terms energy: -216.920243
where:
bonds (distance) C4'-P energy: -46.678
bonds (distance) P-C4' energy: -44.172
flat angles C4'-P-C4' energy: -58.826
flat angles P-C4'-P energy: -21.951
tors. eta vs tors. theta energy: -45.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -407.816383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.816383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.816383 (E_RNA)
where:
Base-Base interactions energy: -218.787
where: short stacking energy: -116.404
Base-Backbone interact. energy: 1.039
local terms energy: -190.068204
where:
bonds (distance) C4'-P energy: -40.468
bonds (distance) P-C4' energy: -65.685
flat angles C4'-P-C4' energy: -41.774
flat angles P-C4'-P energy: -23.924
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1134.336796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.336796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.336796 (E_RNA)
where:
Base-Base interactions energy: -810.806
where: short stacking energy: -344.736
Base-Backbone interact. energy: -1.889
local terms energy: -321.642339
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -55.844
flat angles C4'-P-C4' energy: -68.706
flat angles P-C4'-P energy: -44.739
tors. eta vs tors. theta energy: -94.993
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: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1080.400774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.400774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.400774 (E_RNA)
where:
Base-Base interactions energy: -760.810
where: short stacking energy: -330.809
Base-Backbone interact. energy: -0.894
local terms energy: -318.696945
where:
bonds (distance) C4'-P energy: -62.517
bonds (distance) P-C4' energy: -59.136
flat angles C4'-P-C4' energy: -65.700
flat angles P-C4'-P energy: -38.014
tors. eta vs tors. theta energy: -93.329
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: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1021.800078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.800078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.800078 (E_RNA)
where:
Base-Base interactions energy: -709.865
where: short stacking energy: -293.538
Base-Backbone interact. energy: -0.324
local terms energy: -311.610422
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -57.944
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -80.461
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: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -983.388709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.388709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.388709 (E_RNA)
where:
Base-Base interactions energy: -673.890
where: short stacking energy: -310.723
Base-Backbone interact. energy: -0.657
local terms energy: -308.841425
where:
bonds (distance) C4'-P energy: -65.012
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -64.371
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -78.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -972.902108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.902108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.902108 (E_RNA)
where:
Base-Base interactions energy: -681.907
where: short stacking energy: -299.715
Base-Backbone interact. energy: -3.259
local terms energy: -287.736191
where:
bonds (distance) C4'-P energy: -46.940
bonds (distance) P-C4' energy: -58.429
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -79.863
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -921.275564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.275564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.275564 (E_RNA)
where:
Base-Base interactions energy: -642.386
where: short stacking energy: -285.052
Base-Backbone interact. energy: -0.572
local terms energy: -278.317956
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -51.870
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -43.585
tors. eta vs tors. theta energy: -83.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -806.729634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.729634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.729634 (E_RNA)
where:
Base-Base interactions energy: -548.964
where: short stacking energy: -254.633
Base-Backbone interact. energy: -0.570
local terms energy: -257.195325
where:
bonds (distance) C4'-P energy: -36.655
bonds (distance) P-C4' energy: -62.867
flat angles C4'-P-C4' energy: -54.608
flat angles P-C4'-P energy: -39.561
tors. eta vs tors. theta energy: -63.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -781.088971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.088971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.088971 (E_RNA)
where:
Base-Base interactions energy: -529.601
where: short stacking energy: -234.613
Base-Backbone interact. energy: -0.829
local terms energy: -250.658064
where:
bonds (distance) C4'-P energy: -59.023
bonds (distance) P-C4' energy: -36.188
flat angles C4'-P-C4' energy: -62.579
flat angles P-C4'-P energy: -34.976
tors. eta vs tors. theta energy: -57.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -548.362855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.362855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.362855 (E_RNA)
where:
Base-Base interactions energy: -342.966
where: short stacking energy: -181.243
Base-Backbone interact. energy: 1.477
local terms energy: -206.873888
where:
bonds (distance) C4'-P energy: -45.742
bonds (distance) P-C4' energy: -52.767
flat angles C4'-P-C4' energy: -52.208
flat angles P-C4'-P energy: -31.420
tors. eta vs tors. theta energy: -24.737
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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -413.236156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.236156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.236156 (E_RNA)
where:
Base-Base interactions energy: -241.798
where: short stacking energy: -117.947
Base-Backbone interact. energy: -0.883
local terms energy: -170.555902
where:
bonds (distance) C4'-P energy: -44.782
bonds (distance) P-C4' energy: -42.849
flat angles C4'-P-C4' energy: -57.495
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1129.769130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.769130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.769130 (E_RNA)
where:
Base-Base interactions energy: -789.556
where: short stacking energy: -331.282
Base-Backbone interact. energy: -4.150
local terms energy: -336.063144
where:
bonds (distance) C4'-P energy: -61.137
bonds (distance) P-C4' energy: -69.258
flat angles C4'-P-C4' energy: -68.926
flat angles P-C4'-P energy: -40.556
tors. eta vs tors. theta energy: -96.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1084.363403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.363403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.363403 (E_RNA)
where:
Base-Base interactions energy: -764.385
where: short stacking energy: -329.175
Base-Backbone interact. energy: -0.997
local terms energy: -318.981453
where:
bonds (distance) C4'-P energy: -54.503
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -97.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1021.983863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.983863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.983863 (E_RNA)
where:
Base-Base interactions energy: -741.199
where: short stacking energy: -302.223
Base-Backbone interact. energy: 0.868
local terms energy: -281.652070
where:
bonds (distance) C4'-P energy: -43.046
bonds (distance) P-C4' energy: -49.138
flat angles C4'-P-C4' energy: -65.458
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -81.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1010.161376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.161376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.161376 (E_RNA)
where:
Base-Base interactions energy: -710.663
where: short stacking energy: -305.830
Base-Backbone interact. energy: 0.151
local terms energy: -299.649523
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -57.401
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -42.262
tors. eta vs tors. theta energy: -73.185
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: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -963.425316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.425316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.425316 (E_RNA)
where:
Base-Base interactions energy: -656.171
where: short stacking energy: -297.873
Base-Backbone interact. energy: -0.754
local terms energy: -306.500390
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -61.573
flat angles C4'-P-C4' energy: -71.179
flat angles P-C4'-P energy: -35.743
tors. eta vs tors. theta energy: -86.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -934.236654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.236654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.236654 (E_RNA)
where:
Base-Base interactions energy: -643.206
where: short stacking energy: -286.875
Base-Backbone interact. energy: -1.760
local terms energy: -289.270748
where:
bonds (distance) C4'-P energy: -49.319
bonds (distance) P-C4' energy: -57.242
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -42.723
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: 10
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -831.648217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.648217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.648217 (E_RNA)
where:
Base-Base interactions energy: -568.098
where: short stacking energy: -235.982
Base-Backbone interact. energy: -1.120
local terms energy: -262.430388
where:
bonds (distance) C4'-P energy: -43.026
bonds (distance) P-C4' energy: -60.648
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -64.380
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: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -782.426210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.426210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.426210 (E_RNA)
where:
Base-Base interactions energy: -539.729
where: short stacking energy: -238.248
Base-Backbone interact. energy: -0.930
local terms energy: -241.767219
where:
bonds (distance) C4'-P energy: -34.734
bonds (distance) P-C4' energy: -35.519
flat angles C4'-P-C4' energy: -59.883
flat angles P-C4'-P energy: -39.068
tors. eta vs tors. theta energy: -72.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -541.839740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.839740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.839740 (E_RNA)
where:
Base-Base interactions energy: -340.849
where: short stacking energy: -178.404
Base-Backbone interact. energy: 2.848
local terms energy: -203.838485
where:
bonds (distance) C4'-P energy: -42.651
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -50.199
flat angles P-C4'-P energy: -30.151
tors. eta vs tors. theta energy: -40.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -413.950505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.950505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.950505 (E_RNA)
where:
Base-Base interactions energy: -225.864
where: short stacking energy: -125.229
Base-Backbone interact. energy: 3.605
local terms energy: -191.691254
where:
bonds (distance) C4'-P energy: -56.806
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -28.564
tors. eta vs tors. theta energy: -9.786
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: 1
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1128.560219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.560219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.560219 (E_RNA)
where:
Base-Base interactions energy: -807.155
where: short stacking energy: -339.425
Base-Backbone interact. energy: -0.096
local terms energy: -321.309290
where:
bonds (distance) C4'-P energy: -58.936
bonds (distance) P-C4' energy: -59.880
flat angles C4'-P-C4' energy: -68.396
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -96.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1071.688897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.688897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.688897 (E_RNA)
where:
Base-Base interactions energy: -755.706
where: short stacking energy: -327.042
Base-Backbone interact. energy: -1.204
local terms energy: -314.779085
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -67.868
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -96.844
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: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1029.029991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.029991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.029991 (E_RNA)
where:
Base-Base interactions energy: -723.482
where: short stacking energy: -305.434
Base-Backbone interact. energy: -0.948
local terms energy: -304.599790
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -55.299
flat angles C4'-P-C4' energy: -65.219
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -88.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -987.542496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.542496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.542496 (E_RNA)
where:
Base-Base interactions energy: -700.531
where: short stacking energy: -295.497
Base-Backbone interact. energy: 3.257
local terms energy: -290.268712
where:
bonds (distance) C4'-P energy: -46.951
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: -82.705
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: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -921.350332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.350332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.350332 (E_RNA)
where:
Base-Base interactions energy: -624.807
where: short stacking energy: -278.974
Base-Backbone interact. energy: -0.065
local terms energy: -296.478376
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -62.889
flat angles P-C4'-P energy: -44.628
tors. eta vs tors. theta energy: -72.174
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: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -926.207879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.207879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.207879 (E_RNA)
where:
Base-Base interactions energy: -634.888
where: short stacking energy: -271.854
Base-Backbone interact. energy: -1.121
local terms energy: -290.198419
where:
bonds (distance) C4'-P energy: -54.540
bonds (distance) P-C4' energy: -56.263
flat angles C4'-P-C4' energy: -60.854
flat angles P-C4'-P energy: -38.962
tors. eta vs tors. theta energy: -79.580
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: 148
Temperature: 1.200000
Total energy: -824.641748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.641748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.641748 (E_RNA)
where:
Base-Base interactions energy: -569.794
where: short stacking energy: -251.332
Base-Backbone interact. energy: -1.718
local terms energy: -253.129512
where:
bonds (distance) C4'-P energy: -47.555
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -41.584
tors. eta vs tors. theta energy: -57.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -745.222689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.222689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.222689 (E_RNA)
where:
Base-Base interactions energy: -525.238
where: short stacking energy: -217.602
Base-Backbone interact. energy: 1.176
local terms energy: -221.159861
where:
bonds (distance) C4'-P energy: -39.894
bonds (distance) P-C4' energy: -43.274
flat angles C4'-P-C4' energy: -50.050
flat angles P-C4'-P energy: -35.855
tors. eta vs tors. theta energy: -52.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -506.354328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.354328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.354328 (E_RNA)
where:
Base-Base interactions energy: -300.139
where: short stacking energy: -147.217
Base-Backbone interact. energy: -2.978
local terms energy: -203.237766
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -20.773
tors. eta vs tors. theta energy: -22.504
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -447.604890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.604890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.604890 (E_RNA)
where:
Base-Base interactions energy: -266.085
where: short stacking energy: -128.128
Base-Backbone interact. energy: 2.684
local terms energy: -184.203943
where:
bonds (distance) C4'-P energy: -44.115
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -52.045
flat angles P-C4'-P energy: -17.020
tors. eta vs tors. theta energy: -13.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1136.828974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.828974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.828974 (E_RNA)
where:
Base-Base interactions energy: -791.615
where: short stacking energy: -337.190
Base-Backbone interact. energy: -2.144
local terms energy: -343.070594
where:
bonds (distance) C4'-P energy: -66.621
bonds (distance) P-C4' energy: -61.388
flat angles C4'-P-C4' energy: -74.481
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -95.537
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: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1084.771148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.771148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.771148 (E_RNA)
where:
Base-Base interactions energy: -785.561
where: short stacking energy: -326.345
Base-Backbone interact. energy: -0.472
local terms energy: -298.737560
where:
bonds (distance) C4'-P energy: -65.858
bonds (distance) P-C4' energy: -45.883
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -39.729
tors. eta vs tors. theta energy: -88.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1031.723631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.723631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.723631 (E_RNA)
where:
Base-Base interactions energy: -734.110
where: short stacking energy: -302.415
Base-Backbone interact. energy: -1.779
local terms energy: -295.834120
where:
bonds (distance) C4'-P energy: -44.561
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -87.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -996.600770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.600770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.600770 (E_RNA)
where:
Base-Base interactions energy: -689.507
where: short stacking energy: -287.745
Base-Backbone interact. energy: 2.949
local terms energy: -310.042279
where:
bonds (distance) C4'-P energy: -65.315
bonds (distance) P-C4' energy: -60.212
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -41.771
tors. eta vs tors. theta energy: -80.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -930.870521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.870521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.870521 (E_RNA)
where:
Base-Base interactions energy: -620.073
where: short stacking energy: -283.010
Base-Backbone interact. energy: -1.506
local terms energy: -309.291878
where:
bonds (distance) C4'-P energy: -52.576
bonds (distance) P-C4' energy: -64.898
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -74.891
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: 2
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -950.336015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.336015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.336015 (E_RNA)
where:
Base-Base interactions energy: -656.858
where: short stacking energy: -277.139
Base-Backbone interact. energy: -1.221
local terms energy: -292.257023
where:
bonds (distance) C4'-P energy: -45.031
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -83.797
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: 7, replica: 10
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -854.949504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.949504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.949504 (E_RNA)
where:
Base-Base interactions energy: -603.764
where: short stacking energy: -254.020
Base-Backbone interact. energy: -0.447
local terms energy: -250.738287
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -44.729
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -62.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -781.147997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.147997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.147997 (E_RNA)
where:
Base-Base interactions energy: -522.957
where: short stacking energy: -241.425
Base-Backbone interact. energy: -1.970
local terms energy: -256.221284
where:
bonds (distance) C4'-P energy: -52.788
bonds (distance) P-C4' energy: -51.434
flat angles C4'-P-C4' energy: -53.701
flat angles P-C4'-P energy: -36.140
tors. eta vs tors. theta energy: -62.158
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: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -518.679815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.679815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.679815 (E_RNA)
where:
Base-Base interactions energy: -286.460
where: short stacking energy: -157.510
Base-Backbone interact. energy: 1.308
local terms energy: -233.528014
where:
bonds (distance) C4'-P energy: -60.339
bonds (distance) P-C4' energy: -61.226
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -26.349
tors. eta vs tors. theta energy: -30.639
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: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -388.933707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.933707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.933707 (E_RNA)
where:
Base-Base interactions energy: -204.476
where: short stacking energy: -109.130
Base-Backbone interact. energy: -0.412
local terms energy: -184.045828
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -57.856
flat angles C4'-P-C4' energy: -47.396
flat angles P-C4'-P energy: -28.175
tors. eta vs tors. theta energy: -3.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1128.653561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.653561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.653561 (E_RNA)
where:
Base-Base interactions energy: -801.630
where: short stacking energy: -344.636
Base-Backbone interact. energy: -0.494
local terms energy: -326.529347
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -55.494
flat angles C4'-P-C4' energy: -71.358
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -93.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1082.082553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.082553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.082553 (E_RNA)
where:
Base-Base interactions energy: -762.587
where: short stacking energy: -327.736
Base-Backbone interact. energy: -1.131
local terms energy: -318.364442
where:
bonds (distance) C4'-P energy: -64.150
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -69.152
flat angles P-C4'-P energy: -33.353
tors. eta vs tors. theta energy: -96.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1027.715130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.715130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.715130 (E_RNA)
where:
Base-Base interactions energy: -723.191
where: short stacking energy: -316.994
Base-Backbone interact. energy: -2.704
local terms energy: -301.819834
where:
bonds (distance) C4'-P energy: -50.916
bonds (distance) P-C4' energy: -53.978
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -86.608
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: 7
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -990.973936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.973936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.973936 (E_RNA)
where:
Base-Base interactions energy: -700.119
where: short stacking energy: -285.129
Base-Backbone interact. energy: -2.045
local terms energy: -288.810655
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -64.761
flat angles C4'-P-C4' energy: -59.436
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: -81.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -920.650661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.650661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.650661 (E_RNA)
where:
Base-Base interactions energy: -639.038
where: short stacking energy: -287.321
Base-Backbone interact. energy: -0.838
local terms energy: -280.774792
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -59.029
flat angles P-C4'-P energy: -42.429
tors. eta vs tors. theta energy: -73.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -931.534225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.534225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.534225 (E_RNA)
where:
Base-Base interactions energy: -650.843
where: short stacking energy: -276.973
Base-Backbone interact. energy: -0.780
local terms energy: -279.911362
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -57.578
flat angles C4'-P-C4' energy: -62.823
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: -81.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -848.325432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.325432 (E_RNA)
where:
Base-Base interactions energy: -590.257
where: short stacking energy: -249.788
Base-Backbone interact. energy: -0.918
local terms energy: -257.151023
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -59.254
flat angles P-C4'-P energy: -32.327
tors. eta vs tors. theta energy: -61.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -759.779534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.779534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.779534 (E_RNA)
where:
Base-Base interactions energy: -499.939
where: short stacking energy: -228.764
Base-Backbone interact. energy: -0.075
local terms energy: -259.764790
where:
bonds (distance) C4'-P energy: -53.404
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -55.438
flat angles P-C4'-P energy: -42.918
tors. eta vs tors. theta energy: -55.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -551.961064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.961064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.961064 (E_RNA)
where:
Base-Base interactions energy: -366.751
where: short stacking energy: -177.643
Base-Backbone interact. energy: -0.121
local terms energy: -185.088496
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -35.972
flat angles C4'-P-C4' energy: -41.314
flat angles P-C4'-P energy: -23.668
tors. eta vs tors. theta energy: -42.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -417.076995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.076995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.076995 (E_RNA)
where:
Base-Base interactions energy: -241.819
where: short stacking energy: -133.724
Base-Backbone interact. energy: 1.867
local terms energy: -177.125501
where:
bonds (distance) C4'-P energy: -34.686
bonds (distance) P-C4' energy: -40.570
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: -16.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1126.726906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.726906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.726906 (E_RNA)
where:
Base-Base interactions energy: -799.537
where: short stacking energy: -343.250
Base-Backbone interact. energy: -0.794
local terms energy: -326.396052
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -62.907
flat angles C4'-P-C4' energy: -66.699
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -96.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1093.212067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.212067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.212067 (E_RNA)
where:
Base-Base interactions energy: -764.569
where: short stacking energy: -329.277
Base-Backbone interact. energy: -0.645
local terms energy: -327.997753
where:
bonds (distance) C4'-P energy: -65.441
bonds (distance) P-C4' energy: -55.722
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -41.582
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: 3, replica: 3
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1013.838247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.838247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.838247 (E_RNA)
where:
Base-Base interactions energy: -715.759
where: short stacking energy: -287.795
Base-Backbone interact. energy: -3.808
local terms energy: -294.271556
where:
bonds (distance) C4'-P energy: -51.232
bonds (distance) P-C4' energy: -56.291
flat angles C4'-P-C4' energy: -73.067
flat angles P-C4'-P energy: -33.988
tors. eta vs tors. theta energy: -79.693
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -992.030722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.030722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.030722 (E_RNA)
where:
Base-Base interactions energy: -682.172
where: short stacking energy: -289.139
Base-Backbone interact. energy: -0.012
local terms energy: -309.846746
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -57.077
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -87.562
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: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -924.987411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.987411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.987411 (E_RNA)
where:
Base-Base interactions energy: -627.411
where: short stacking energy: -283.718
Base-Backbone interact. energy: -0.820
local terms energy: -296.756181
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -53.049
flat angles C4'-P-C4' energy: -66.672
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -81.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -967.218517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.218517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.218517 (E_RNA)
where:
Base-Base interactions energy: -673.260
where: short stacking energy: -261.913
Base-Backbone interact. energy: 2.633
local terms energy: -296.591858
where:
bonds (distance) C4'-P energy: -57.245
bonds (distance) P-C4' energy: -59.827
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -44.862
tors. eta vs tors. theta energy: -76.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -794.450038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.450038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.450038 (E_RNA)
where:
Base-Base interactions energy: -547.455
where: short stacking energy: -239.421
Base-Backbone interact. energy: -1.265
local terms energy: -245.730473
where:
bonds (distance) C4'-P energy: -47.779
bonds (distance) P-C4' energy: -44.012
flat angles C4'-P-C4' energy: -55.572
flat angles P-C4'-P energy: -35.484
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: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -761.697174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.697174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.697174 (E_RNA)
where:
Base-Base interactions energy: -493.607
where: short stacking energy: -216.014
Base-Backbone interact. energy: -1.009
local terms energy: -267.080697
where:
bonds (distance) C4'-P energy: -52.337
bonds (distance) P-C4' energy: -56.851
flat angles C4'-P-C4' energy: -61.366
flat angles P-C4'-P energy: -36.436
tors. eta vs tors. theta energy: -60.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -533.658353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.658353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.658353 (E_RNA)
where:
Base-Base interactions energy: -329.978
where: short stacking energy: -161.241
Base-Backbone interact. energy: -0.504
local terms energy: -203.176287
where:
bonds (distance) C4'-P energy: -51.677
bonds (distance) P-C4' energy: -47.787
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -34.244
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -418.324434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.324434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.324434 (E_RNA)
where:
Base-Base interactions energy: -264.102
where: short stacking energy: -140.080
Base-Backbone interact. energy: -0.289
local terms energy: -153.933437
where:
bonds (distance) C4'-P energy: -49.875
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -21.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1153.324474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.324474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.324474 (E_RNA)
where:
Base-Base interactions energy: -826.213
where: short stacking energy: -334.401
Base-Backbone interact. energy: -1.908
local terms energy: -325.203760
where:
bonds (distance) C4'-P energy: -64.869
bonds (distance) P-C4' energy: -60.292
flat angles C4'-P-C4' energy: -62.860
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -92.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1081.734759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.734759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.734759 (E_RNA)
where:
Base-Base interactions energy: -751.264
where: short stacking energy: -330.663
Base-Backbone interact. energy: -1.453
local terms energy: -329.017778
where:
bonds (distance) C4'-P energy: -57.156
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -72.462
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -100.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1023.447726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.447726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.447726 (E_RNA)
where:
Base-Base interactions energy: -719.272
where: short stacking energy: -310.064
Base-Backbone interact. energy: -1.636
local terms energy: -302.540164
where:
bonds (distance) C4'-P energy: -55.891
bonds (distance) P-C4' energy: -46.553
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -43.491
tors. eta vs tors. theta energy: -90.708
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: 152
Temperature: 1.050000
Total energy: -996.930261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.930261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.930261 (E_RNA)
where:
Base-Base interactions energy: -717.429
where: short stacking energy: -299.512
Base-Backbone interact. energy: -2.241
local terms energy: -277.260361
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -53.903
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -28.689
tors. eta vs tors. theta energy: -81.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -978.652280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.652280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.652280 (E_RNA)
where:
Base-Base interactions energy: -681.405
where: short stacking energy: -295.937
Base-Backbone interact. energy: -1.362
local terms energy: -295.884738
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -54.726
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -38.366
tors. eta vs tors. theta energy: -84.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -884.730154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.730154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.730154 (E_RNA)
where:
Base-Base interactions energy: -603.813
where: short stacking energy: -292.531
Base-Backbone interact. energy: -0.294
local terms energy: -280.623225
where:
bonds (distance) C4'-P energy: -43.871
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -61.384
flat angles P-C4'-P energy: -40.370
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: 7, replica: 10
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -785.047257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.047257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.047257 (E_RNA)
where:
Base-Base interactions energy: -544.847
where: short stacking energy: -231.684
Base-Backbone interact. energy: -0.450
local terms energy: -239.750525
where:
bonds (distance) C4'-P energy: -56.526
bonds (distance) P-C4' energy: -42.323
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -27.330
tors. eta vs tors. theta energy: -54.207
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: 8, replica: 5
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -778.764411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.764411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.764411 (E_RNA)
where:
Base-Base interactions energy: -518.259
where: short stacking energy: -227.056
Base-Backbone interact. energy: -0.830
local terms energy: -259.675650
where:
bonds (distance) C4'-P energy: -52.460
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -50.278
flat angles P-C4'-P energy: -40.493
tors. eta vs tors. theta energy: -63.313
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -553.059856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.059856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.059856 (E_RNA)
where:
Base-Base interactions energy: -328.117
where: short stacking energy: -160.101
Base-Backbone interact. energy: 0.833
local terms energy: -225.775446
where:
bonds (distance) C4'-P energy: -45.165
bonds (distance) P-C4' energy: -69.627
flat angles C4'-P-C4' energy: -48.434
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -407.446387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.446387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.446387 (E_RNA)
where:
Base-Base interactions energy: -234.893
where: short stacking energy: -129.154
Base-Backbone interact. energy: 0.960
local terms energy: -173.513113
where:
bonds (distance) C4'-P energy: -40.613
bonds (distance) P-C4' energy: -47.483
flat angles C4'-P-C4' energy: -52.705
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -8.166
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: 1
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1145.010874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.010874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.010874 (E_RNA)
where:
Base-Base interactions energy: -805.157
where: short stacking energy: -343.795
Base-Backbone interact. energy: -0.754
local terms energy: -339.100040
where:
bonds (distance) C4'-P energy: -66.853
bonds (distance) P-C4' energy: -62.873
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -41.489
tors. eta vs tors. theta energy: -97.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1061.636035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.636035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.636035 (E_RNA)
where:
Base-Base interactions energy: -748.428
where: short stacking energy: -319.747
Base-Backbone interact. energy: -0.225
local terms energy: -312.983087
where:
bonds (distance) C4'-P energy: -60.001
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -72.817
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -87.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1006.925612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.925612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.925612 (E_RNA)
where:
Base-Base interactions energy: -697.460
where: short stacking energy: -290.286
Base-Backbone interact. energy: -2.657
local terms energy: -306.808339
where:
bonds (distance) C4'-P energy: -53.624
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -67.945
flat angles P-C4'-P energy: -48.008
tors. eta vs tors. theta energy: -80.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1020.567524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.567524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.567524 (E_RNA)
where:
Base-Base interactions energy: -710.124
where: short stacking energy: -300.661
Base-Backbone interact. energy: -2.909
local terms energy: -307.534879
where:
bonds (distance) C4'-P energy: -56.480
bonds (distance) P-C4' energy: -57.326
flat angles C4'-P-C4' energy: -71.892
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -82.534
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: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1010.816843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.816843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.816843 (E_RNA)
where:
Base-Base interactions energy: -694.705
where: short stacking energy: -309.210
Base-Backbone interact. energy: -1.703
local terms energy: -314.408874
where:
bonds (distance) C4'-P energy: -51.103
bonds (distance) P-C4' energy: -62.495
flat angles C4'-P-C4' energy: -66.876
flat angles P-C4'-P energy: -44.338
tors. eta vs tors. theta energy: -89.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -884.175987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.175987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.175987 (E_RNA)
where:
Base-Base interactions energy: -616.690
where: short stacking energy: -267.727
Base-Backbone interact. energy: -1.706
local terms energy: -265.780375
where:
bonds (distance) C4'-P energy: -40.155
bonds (distance) P-C4' energy: -49.916
flat angles C4'-P-C4' energy: -60.536
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -69.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -855.407055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.407055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.407055 (E_RNA)
where:
Base-Base interactions energy: -603.980
where: short stacking energy: -255.037
Base-Backbone interact. energy: 0.893
local terms energy: -252.320018
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -48.728
flat angles C4'-P-C4' energy: -55.130
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -61.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -772.485675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.485675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.485675 (E_RNA)
where:
Base-Base interactions energy: -522.956
where: short stacking energy: -241.918
Base-Backbone interact. energy: -0.749
local terms energy: -248.780697
where:
bonds (distance) C4'-P energy: -39.252
bonds (distance) P-C4' energy: -42.746
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -47.122
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -556.735012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.735012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.735012 (E_RNA)
where:
Base-Base interactions energy: -332.978
where: short stacking energy: -174.958
Base-Backbone interact. energy: 0.589
local terms energy: -224.345772
where:
bonds (distance) C4'-P energy: -49.160
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -31.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -403.039376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.039376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.039376 (E_RNA)
where:
Base-Base interactions energy: -213.443
where: short stacking energy: -110.724
Base-Backbone interact. energy: -1.463
local terms energy: -188.133496
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -50.703
flat angles C4'-P-C4' energy: -46.820
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1101.697350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.697350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.697350 (E_RNA)
where:
Base-Base interactions energy: -771.244
where: short stacking energy: -332.240
Base-Backbone interact. energy: -0.842
local terms energy: -329.611051
where:
bonds (distance) C4'-P energy: -61.162
bonds (distance) P-C4' energy: -64.797
flat angles C4'-P-C4' energy: -64.919
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -100.768
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: 2, replica: 1
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1121.501989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.501989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.501989 (E_RNA)
where:
Base-Base interactions energy: -783.693
where: short stacking energy: -312.856
Base-Backbone interact. energy: -1.290
local terms energy: -336.518357
where:
bonds (distance) C4'-P energy: -66.180
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -67.610
flat angles P-C4'-P energy: -43.318
tors. eta vs tors. theta energy: -93.658
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: 3, replica: 2
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1021.458066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.458066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.458066 (E_RNA)
where:
Base-Base interactions energy: -720.359
where: short stacking energy: -322.271
Base-Backbone interact. energy: -1.594
local terms energy: -299.504992
where:
bonds (distance) C4'-P energy: -63.021
bonds (distance) P-C4' energy: -63.953
flat angles C4'-P-C4' energy: -60.794
flat angles P-C4'-P energy: -33.187
tors. eta vs tors. theta energy: -78.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -999.698957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.698957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.698957 (E_RNA)
where:
Base-Base interactions energy: -714.366
where: short stacking energy: -308.802
Base-Backbone interact. energy: 2.463
local terms energy: -287.796596
where:
bonds (distance) C4'-P energy: -55.205
bonds (distance) P-C4' energy: -54.285
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -27.301
tors. eta vs tors. theta energy: -85.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -962.190839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.190839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.190839 (E_RNA)
where:
Base-Base interactions energy: -662.456
where: short stacking energy: -266.193
Base-Backbone interact. energy: -2.377
local terms energy: -297.357857
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -55.730
flat angles C4'-P-C4' energy: -70.139
flat angles P-C4'-P energy: -42.665
tors. eta vs tors. theta energy: -76.704
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: 154
Temperature: 1.150000
Total energy: -873.105469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.105469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.105469 (E_RNA)
where:
Base-Base interactions energy: -601.480
where: short stacking energy: -264.185
Base-Backbone interact. energy: 2.170
local terms energy: -273.794957
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -53.569
flat angles C4'-P-C4' energy: -57.086
flat angles P-C4'-P energy: -31.888
tors. eta vs tors. theta energy: -75.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -855.089726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.089726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.089726 (E_RNA)
where:
Base-Base interactions energy: -586.864
where: short stacking energy: -256.778
Base-Backbone interact. energy: -1.020
local terms energy: -267.206052
where:
bonds (distance) C4'-P energy: -49.648
bonds (distance) P-C4' energy: -36.854
flat angles C4'-P-C4' energy: -67.208
flat angles P-C4'-P energy: -43.200
tors. eta vs tors. theta energy: -70.296
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: 8, replica: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -805.387372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.387372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.387372 (E_RNA)
where:
Base-Base interactions energy: -538.774
where: short stacking energy: -244.250
Base-Backbone interact. energy: -0.557
local terms energy: -266.056299
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -41.774
flat angles C4'-P-C4' energy: -56.058
flat angles P-C4'-P energy: -35.070
tors. eta vs tors. theta energy: -73.871
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: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -417.708834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.708834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.708834 (E_RNA)
where:
Base-Base interactions energy: -226.543
where: short stacking energy: -119.703
Base-Backbone interact. energy: -0.647
local terms energy: -190.519168
where:
bonds (distance) C4'-P energy: -43.066
bonds (distance) P-C4' energy: -64.955
flat angles C4'-P-C4' energy: -43.602
flat angles P-C4'-P energy: -16.409
tors. eta vs tors. theta energy: -22.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -516.440689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.440689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.440689 (E_RNA)
where:
Base-Base interactions energy: -297.990
where: short stacking energy: -142.604
Base-Backbone interact. energy: -0.115
local terms energy: -218.335615
where:
bonds (distance) C4'-P energy: -40.198
bonds (distance) P-C4' energy: -51.131
flat angles C4'-P-C4' energy: -61.722
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -31.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1111.696169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.696169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.696169 (E_RNA)
where:
Base-Base interactions energy: -767.156
where: short stacking energy: -345.454
Base-Backbone interact. energy: -0.978
local terms energy: -343.561619
where:
bonds (distance) C4'-P energy: -66.563
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -74.265
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -103.808
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: 1
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1127.498191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.498191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.498191 (E_RNA)
where:
Base-Base interactions energy: -795.134
where: short stacking energy: -343.870
Base-Backbone interact. energy: -1.798
local terms energy: -330.566544
where:
bonds (distance) C4'-P energy: -51.982
bonds (distance) P-C4' energy: -63.677
flat angles C4'-P-C4' energy: -75.050
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -96.743
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: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1017.054768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.054768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.054768 (E_RNA)
where:
Base-Base interactions energy: -713.353
where: short stacking energy: -296.444
Base-Backbone interact. energy: -1.165
local terms energy: -302.536870
where:
bonds (distance) C4'-P energy: -59.172
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -68.345
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -74.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1003.300319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.300319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.300319 (E_RNA)
where:
Base-Base interactions energy: -715.249
where: short stacking energy: -298.589
Base-Backbone interact. energy: -1.821
local terms energy: -286.230270
where:
bonds (distance) C4'-P energy: -49.762
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -65.013
flat angles P-C4'-P energy: -33.972
tors. eta vs tors. theta energy: -78.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -973.883987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.883987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.883987 (E_RNA)
where:
Base-Base interactions energy: -702.972
where: short stacking energy: -293.779
Base-Backbone interact. energy: 0.460
local terms energy: -271.372057
where:
bonds (distance) C4'-P energy: -43.165
bonds (distance) P-C4' energy: -38.026
flat angles C4'-P-C4' energy: -66.873
flat angles P-C4'-P energy: -41.025
tors. eta vs tors. theta energy: -82.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -855.356021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.356021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.356021 (E_RNA)
where:
Base-Base interactions energy: -590.167
where: short stacking energy: -256.292
Base-Backbone interact. energy: 0.010
local terms energy: -265.199420
where:
bonds (distance) C4'-P energy: -50.687
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -61.576
flat angles P-C4'-P energy: -33.987
tors. eta vs tors. theta energy: -63.371
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: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -884.825083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.825083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.825083 (E_RNA)
where:
Base-Base interactions energy: -620.603
where: short stacking energy: -266.602
Base-Backbone interact. energy: -0.725
local terms energy: -263.497197
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -46.901
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -71.996
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: 5
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -776.017859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.017859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.017859 (E_RNA)
where:
Base-Base interactions energy: -540.181
where: short stacking energy: -253.896
Base-Backbone interact. energy: 2.517
local terms energy: -238.353920
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -54.029
flat angles C4'-P-C4' energy: -45.775
flat angles P-C4'-P energy: -28.079
tors. eta vs tors. theta energy: -59.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -438.235268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.235268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.235268 (E_RNA)
where:
Base-Base interactions energy: -238.618
where: short stacking energy: -131.905
Base-Backbone interact. energy: 0.190
local terms energy: -199.807549
where:
bonds (distance) C4'-P energy: -45.306
bonds (distance) P-C4' energy: -51.551
flat angles C4'-P-C4' energy: -54.562
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -21.342
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: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -516.771704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.771704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.771704 (E_RNA)
where:
Base-Base interactions energy: -302.670
where: short stacking energy: -132.788
Base-Backbone interact. energy: -2.044
local terms energy: -212.057121
where:
bonds (distance) C4'-P energy: -55.942
bonds (distance) P-C4' energy: -53.063
flat angles C4'-P-C4' energy: -52.942
flat angles P-C4'-P energy: -29.312
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1134.512727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.512727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.512727 (E_RNA)
where:
Base-Base interactions energy: -805.164
where: short stacking energy: -336.103
Base-Backbone interact. energy: -1.904
local terms energy: -327.444471
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -54.810
flat angles C4'-P-C4' energy: -67.727
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -97.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1086.268038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.268038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.268038 (E_RNA)
where:
Base-Base interactions energy: -767.530
where: short stacking energy: -341.789
Base-Backbone interact. energy: -1.408
local terms energy: -317.330858
where:
bonds (distance) C4'-P energy: -57.665
bonds (distance) P-C4' energy: -44.549
flat angles C4'-P-C4' energy: -61.363
flat angles P-C4'-P energy: -53.009
tors. eta vs tors. theta energy: -100.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1020.136910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.136910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.136910 (E_RNA)
where:
Base-Base interactions energy: -708.809
where: short stacking energy: -290.498
Base-Backbone interact. energy: 0.212
local terms energy: -311.540623
where:
bonds (distance) C4'-P energy: -66.374
bonds (distance) P-C4' energy: -61.552
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -39.794
tors. eta vs tors. theta energy: -82.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1000.446781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.446781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.446781 (E_RNA)
where:
Base-Base interactions energy: -713.414
where: short stacking energy: -311.510
Base-Backbone interact. energy: -0.714
local terms energy: -286.318790
where:
bonds (distance) C4'-P energy: -47.270
bonds (distance) P-C4' energy: -58.779
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -82.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -909.839469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.839469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.839469 (E_RNA)
where:
Base-Base interactions energy: -642.289
where: short stacking energy: -271.746
Base-Backbone interact. energy: -2.098
local terms energy: -265.451858
where:
bonds (distance) C4'-P energy: -54.043
bonds (distance) P-C4' energy: -49.939
flat angles C4'-P-C4' energy: -62.263
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -72.305
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: 156
Temperature: 1.150000
Total energy: -857.955852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.955852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.955852 (E_RNA)
where:
Base-Base interactions energy: -598.265
where: short stacking energy: -261.599
Base-Backbone interact. energy: -1.391
local terms energy: -258.299363
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -54.136
flat angles C4'-P-C4' energy: -51.572
flat angles P-C4'-P energy: -33.165
tors. eta vs tors. theta energy: -67.974
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: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -888.628939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.628939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.628939 (E_RNA)
where:
Base-Base interactions energy: -607.053
where: short stacking energy: -271.650
Base-Backbone interact. energy: -1.693
local terms energy: -279.882782
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -61.838
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -71.895
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: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -748.165475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.165475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.165475 (E_RNA)
where:
Base-Base interactions energy: -488.853
where: short stacking energy: -231.007
Base-Backbone interact. energy: 0.043
local terms energy: -259.356045
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -61.070
flat angles C4'-P-C4' energy: -55.671
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -62.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -560.048266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.048266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.048266 (E_RNA)
where:
Base-Base interactions energy: -351.369
where: short stacking energy: -167.800
Base-Backbone interact. energy: -0.652
local terms energy: -208.026916
where:
bonds (distance) C4'-P energy: -44.840
bonds (distance) P-C4' energy: -57.092
flat angles C4'-P-C4' energy: -48.746
flat angles P-C4'-P energy: -22.164
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: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -430.378045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.378045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.378045 (E_RNA)
where:
Base-Base interactions energy: -240.090
where: short stacking energy: -136.404
Base-Backbone interact. energy: -0.602
local terms energy: -189.686057
where:
bonds (distance) C4'-P energy: -49.085
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -42.256
flat angles P-C4'-P energy: -33.230
tors. eta vs tors. theta energy: -11.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1156.089545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.089545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.089545 (E_RNA)
where:
Base-Base interactions energy: -815.538
where: short stacking energy: -347.115
Base-Backbone interact. energy: 1.098
local terms energy: -341.649305
where:
bonds (distance) C4'-P energy: -60.913
bonds (distance) P-C4' energy: -65.106
flat angles C4'-P-C4' energy: -72.050
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -95.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1089.985855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.985855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.985855 (E_RNA)
where:
Base-Base interactions energy: -746.836
where: short stacking energy: -317.696
Base-Backbone interact. energy: -1.617
local terms energy: -341.532734
where:
bonds (distance) C4'-P energy: -57.879
bonds (distance) P-C4' energy: -69.123
flat angles C4'-P-C4' energy: -71.615
flat angles P-C4'-P energy: -48.796
tors. eta vs tors. theta energy: -94.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1050.471315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.471315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.471315 (E_RNA)
where:
Base-Base interactions energy: -739.655
where: short stacking energy: -319.363
Base-Backbone interact. energy: -0.865
local terms energy: -309.951845
where:
bonds (distance) C4'-P energy: -53.542
bonds (distance) P-C4' energy: -61.436
flat angles C4'-P-C4' energy: -60.132
flat angles P-C4'-P energy: -40.866
tors. eta vs tors. theta energy: -93.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -990.513031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.513031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.513031 (E_RNA)
where:
Base-Base interactions energy: -660.111
where: short stacking energy: -273.626
Base-Backbone interact. energy: -0.476
local terms energy: -329.926038
where:
bonds (distance) C4'-P energy: -70.753
bonds (distance) P-C4' energy: -59.478
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -49.637
tors. eta vs tors. theta energy: -83.988
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: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -946.056238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.056238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.056238 (E_RNA)
where:
Base-Base interactions energy: -673.940
where: short stacking energy: -281.981
Base-Backbone interact. energy: 1.022
local terms energy: -273.138068
where:
bonds (distance) C4'-P energy: -46.365
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -53.093
flat angles P-C4'-P energy: -42.581
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: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -868.930066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.930066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.930066 (E_RNA)
where:
Base-Base interactions energy: -599.420
where: short stacking energy: -254.564
Base-Backbone interact. energy: 4.395
local terms energy: -273.905611
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -66.441
flat angles C4'-P-C4' energy: -54.701
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -56.980
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: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -834.393306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.393306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.393306 (E_RNA)
where:
Base-Base interactions energy: -550.145
where: short stacking energy: -236.192
Base-Backbone interact. energy: -1.913
local terms energy: -282.336094
where:
bonds (distance) C4'-P energy: -46.819
bonds (distance) P-C4' energy: -64.262
flat angles C4'-P-C4' energy: -65.732
flat angles P-C4'-P energy: -41.571
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: 5
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -764.997378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.997378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.997378 (E_RNA)
where:
Base-Base interactions energy: -506.894
where: short stacking energy: -230.306
Base-Backbone interact. energy: 0.443
local terms energy: -258.546878
where:
bonds (distance) C4'-P energy: -51.353
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -50.044
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -66.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -550.418123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.418123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.418123 (E_RNA)
where:
Base-Base interactions energy: -348.232
where: short stacking energy: -169.845
Base-Backbone interact. energy: 0.615
local terms energy: -202.801862
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -49.017
flat angles C4'-P-C4' energy: -47.190
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -35.648
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: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -442.210915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.210915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.210915 (E_RNA)
where:
Base-Base interactions energy: -233.982
where: short stacking energy: -113.769
Base-Backbone interact. energy: -3.516
local terms energy: -204.712468
where:
bonds (distance) C4'-P energy: -60.206
bonds (distance) P-C4' energy: -40.631
flat angles C4'-P-C4' energy: -49.368
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -16.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1150.409765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.409765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.409765 (E_RNA)
where:
Base-Base interactions energy: -817.085
where: short stacking energy: -357.196
Base-Backbone interact. energy: -2.240
local terms energy: -331.084667
where:
bonds (distance) C4'-P energy: -62.433
bonds (distance) P-C4' energy: -58.480
flat angles C4'-P-C4' energy: -66.850
flat angles P-C4'-P energy: -43.855
tors. eta vs tors. theta energy: -99.468
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: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1094.498846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.498846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.498846 (E_RNA)
where:
Base-Base interactions energy: -772.744
where: short stacking energy: -338.466
Base-Backbone interact. energy: 0.073
local terms energy: -321.827203
where:
bonds (distance) C4'-P energy: -65.003
bonds (distance) P-C4' energy: -51.639
flat angles C4'-P-C4' energy: -68.926
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -101.921
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: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1047.516854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.516854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.516854 (E_RNA)
where:
Base-Base interactions energy: -726.750
where: short stacking energy: -310.281
Base-Backbone interact. energy: -1.180
local terms energy: -319.586682
where:
bonds (distance) C4'-P energy: -59.551
bonds (distance) P-C4' energy: -59.000
flat angles C4'-P-C4' energy: -72.692
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -90.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -983.420945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.420945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.420945 (E_RNA)
where:
Base-Base interactions energy: -697.335
where: short stacking energy: -286.838
Base-Backbone interact. energy: -0.777
local terms energy: -285.309085
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -56.167
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -68.959
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: 7
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -960.982509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.982509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.982509 (E_RNA)
where:
Base-Base interactions energy: -673.600
where: short stacking energy: -273.924
Base-Backbone interact. energy: -0.942
local terms energy: -286.440568
where:
bonds (distance) C4'-P energy: -48.674
bonds (distance) P-C4' energy: -48.861
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -82.227
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: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -870.811981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.811981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.811981 (E_RNA)
where:
Base-Base interactions energy: -592.677
where: short stacking energy: -266.704
Base-Backbone interact. energy: -0.849
local terms energy: -277.285823
where:
bonds (distance) C4'-P energy: -60.518
bonds (distance) P-C4' energy: -50.385
flat angles C4'-P-C4' energy: -60.850
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -68.750
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: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -837.840152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.840152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.840152 (E_RNA)
where:
Base-Base interactions energy: -566.424
where: short stacking energy: -242.600
Base-Backbone interact. energy: 0.573
local terms energy: -271.988833
where:
bonds (distance) C4'-P energy: -48.287
bonds (distance) P-C4' energy: -60.881
flat angles C4'-P-C4' energy: -51.617
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: -62.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -753.126270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.126270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.126270 (E_RNA)
where:
Base-Base interactions energy: -496.074
where: short stacking energy: -225.810
Base-Backbone interact. energy: -1.462
local terms energy: -255.590752
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -56.423
flat angles C4'-P-C4' energy: -53.433
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -55.703
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: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -552.043219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.043219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.043219 (E_RNA)
where:
Base-Base interactions energy: -332.172
where: short stacking energy: -171.971
Base-Backbone interact. energy: -1.457
local terms energy: -218.413755
where:
bonds (distance) C4'-P energy: -39.312
bonds (distance) P-C4' energy: -56.327
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -30.554
tors. eta vs tors. theta energy: -37.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -456.845953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.845953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.845953 (E_RNA)
where:
Base-Base interactions energy: -247.384
where: short stacking energy: -133.925
Base-Backbone interact. energy: -0.834
local terms energy: -208.627763
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -48.685
flat angles C4'-P-C4' energy: -44.230
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -30.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1135.704933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.704933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.704933 (E_RNA)
where:
Base-Base interactions energy: -820.522
where: short stacking energy: -324.779
Base-Backbone interact. energy: -0.778
local terms energy: -314.404446
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -62.689
flat angles C4'-P-C4' energy: -64.004
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -88.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1109.063705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.063705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.063705 (E_RNA)
where:
Base-Base interactions energy: -781.336
where: short stacking energy: -328.927
Base-Backbone interact. energy: -1.471
local terms energy: -326.256662
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -74.799
flat angles P-C4'-P energy: -46.103
tors. eta vs tors. theta energy: -93.853
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: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1037.326788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.326788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.326788 (E_RNA)
where:
Base-Base interactions energy: -730.978
where: short stacking energy: -295.868
Base-Backbone interact. energy: -1.395
local terms energy: -304.953551
where:
bonds (distance) C4'-P energy: -59.876
bonds (distance) P-C4' energy: -65.847
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -36.936
tors. eta vs tors. theta energy: -77.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -998.733779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.733779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.733779 (E_RNA)
where:
Base-Base interactions energy: -704.849
where: short stacking energy: -292.609
Base-Backbone interact. energy: -0.840
local terms energy: -293.044415
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -63.511
flat angles P-C4'-P energy: -47.715
tors. eta vs tors. theta energy: -73.106
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: 159
Temperature: 1.100000
Total energy: -957.373481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.373481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.373481 (E_RNA)
where:
Base-Base interactions energy: -689.501
where: short stacking energy: -286.741
Base-Backbone interact. energy: -1.278
local terms energy: -266.594728
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -49.089
flat angles C4'-P-C4' energy: -59.759
flat angles P-C4'-P energy: -27.004
tors. eta vs tors. theta energy: -78.377
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: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -909.847682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.847682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.847682 (E_RNA)
where:
Base-Base interactions energy: -629.428
where: short stacking energy: -272.425
Base-Backbone interact. energy: -1.476
local terms energy: -278.943833
where:
bonds (distance) C4'-P energy: -45.413
bonds (distance) P-C4' energy: -52.129
flat angles C4'-P-C4' energy: -64.915
flat angles P-C4'-P energy: -38.600
tors. eta vs tors. theta energy: -77.887
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: 7, replica: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -861.006431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.006431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.006431 (E_RNA)
where:
Base-Base interactions energy: -576.206
where: short stacking energy: -254.693
Base-Backbone interact. energy: -0.697
local terms energy: -284.103934
where:
bonds (distance) C4'-P energy: -55.344
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -66.792
flat angles P-C4'-P energy: -32.931
tors. eta vs tors. theta energy: -64.099
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: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -778.187190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.187190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.187190 (E_RNA)
where:
Base-Base interactions energy: -533.767
where: short stacking energy: -235.891
Base-Backbone interact. energy: 1.297
local terms energy: -245.716850
where:
bonds (distance) C4'-P energy: -41.614
bonds (distance) P-C4' energy: -51.285
flat angles C4'-P-C4' energy: -61.980
flat angles P-C4'-P energy: -31.701
tors. eta vs tors. theta energy: -59.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -540.009145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.009145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.009145 (E_RNA)
where:
Base-Base interactions energy: -311.856
where: short stacking energy: -146.904
Base-Backbone interact. energy: -1.067
local terms energy: -227.085837
where:
bonds (distance) C4'-P energy: -52.606
bonds (distance) P-C4' energy: -62.309
flat angles C4'-P-C4' energy: -45.765
flat angles P-C4'-P energy: -39.658
tors. eta vs tors. theta energy: -26.747
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: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -462.655579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.655579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.655579 (E_RNA)
where:
Base-Base interactions energy: -277.317
where: short stacking energy: -105.612
Base-Backbone interact. energy: -0.342
local terms energy: -184.996259
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -50.205
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: -8.307
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: 1
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1132.142269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.142269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.142269 (E_RNA)
where:
Base-Base interactions energy: -804.495
where: short stacking energy: -349.823
Base-Backbone interact. energy: -1.440
local terms energy: -326.207572
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -55.082
flat angles C4'-P-C4' energy: -67.211
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -96.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1090.113756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.113756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.113756 (E_RNA)
where:
Base-Base interactions energy: -772.428
where: short stacking energy: -325.093
Base-Backbone interact. energy: -0.368
local terms energy: -317.317213
where:
bonds (distance) C4'-P energy: -52.831
bonds (distance) P-C4' energy: -64.108
flat angles C4'-P-C4' energy: -72.077
flat angles P-C4'-P energy: -37.286
tors. eta vs tors. theta energy: -91.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1034.585713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.585713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.585713 (E_RNA)
where:
Base-Base interactions energy: -731.019
where: short stacking energy: -308.242
Base-Backbone interact. energy: -0.218
local terms energy: -303.348887
where:
bonds (distance) C4'-P energy: -52.764
bonds (distance) P-C4' energy: -64.109
flat angles C4'-P-C4' energy: -68.594
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -86.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -973.265214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.265214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.265214 (E_RNA)
where:
Base-Base interactions energy: -668.720
where: short stacking energy: -287.377
Base-Backbone interact. energy: 2.784
local terms energy: -307.329417
where:
bonds (distance) C4'-P energy: -56.139
bonds (distance) P-C4' energy: -64.002
flat angles C4'-P-C4' energy: -65.455
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -85.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -958.101957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.101957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.101957 (E_RNA)
where:
Base-Base interactions energy: -675.814
where: short stacking energy: -288.313
Base-Backbone interact. energy: 0.192
local terms energy: -282.480112
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -50.368
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -41.456
tors. eta vs tors. theta energy: -70.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -890.926518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.926518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.926518 (E_RNA)
where:
Base-Base interactions energy: -602.112
where: short stacking energy: -280.140
Base-Backbone interact. energy: -1.129
local terms energy: -287.685550
where:
bonds (distance) C4'-P energy: -55.195
bonds (distance) P-C4' energy: -60.172
flat angles C4'-P-C4' energy: -54.499
flat angles P-C4'-P energy: -38.576
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: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -858.352088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.352088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.352088 (E_RNA)
where:
Base-Base interactions energy: -593.891
where: short stacking energy: -261.844
Base-Backbone interact. energy: -0.323
local terms energy: -264.138680
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -51.430
flat angles C4'-P-C4' energy: -58.834
flat angles P-C4'-P energy: -39.246
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -763.287801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.287801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.287801 (E_RNA)
where:
Base-Base interactions energy: -508.643
where: short stacking energy: -234.974
Base-Backbone interact. energy: -1.975
local terms energy: -252.669729
where:
bonds (distance) C4'-P energy: -45.185
bonds (distance) P-C4' energy: -56.266
flat angles C4'-P-C4' energy: -48.783
flat angles P-C4'-P energy: -39.639
tors. eta vs tors. theta energy: -62.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -556.396769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.396769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.396769 (E_RNA)
where:
Base-Base interactions energy: -342.903
where: short stacking energy: -171.056
Base-Backbone interact. energy: 3.481
local terms energy: -216.974798
where:
bonds (distance) C4'-P energy: -45.206
bonds (distance) P-C4' energy: -59.053
flat angles C4'-P-C4' energy: -57.792
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -29.799
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: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -451.690796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.690796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.690796 (E_RNA)
where:
Base-Base interactions energy: -257.263
where: short stacking energy: -138.550
Base-Backbone interact. energy: -1.682
local terms energy: -192.746551
where:
bonds (distance) C4'-P energy: -57.935
bonds (distance) P-C4' energy: -48.317
flat angles C4'-P-C4' energy: -45.779
flat angles P-C4'-P energy: -31.870
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1146.635884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.635884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.635884 (E_RNA)
where:
Base-Base interactions energy: -811.890
where: short stacking energy: -325.369
Base-Backbone interact. energy: -0.452
local terms energy: -334.294439
where:
bonds (distance) C4'-P energy: -58.599
bonds (distance) P-C4' energy: -64.689
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -94.004
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1099.867970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.867970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.867970 (E_RNA)
where:
Base-Base interactions energy: -792.608
where: short stacking energy: -345.353
Base-Backbone interact. energy: -0.459
local terms energy: -306.800790
where:
bonds (distance) C4'-P energy: -51.932
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -40.784
tors. eta vs tors. theta energy: -98.494
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: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1021.215187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.215187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.215187 (E_RNA)
where:
Base-Base interactions energy: -711.491
where: short stacking energy: -291.081
Base-Backbone interact. energy: -1.108
local terms energy: -308.615642
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -39.420
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1002.717797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.717797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.717797 (E_RNA)
where:
Base-Base interactions energy: -708.549
where: short stacking energy: -290.512
Base-Backbone interact. energy: -0.979
local terms energy: -293.189406
where:
bonds (distance) C4'-P energy: -50.565
bonds (distance) P-C4' energy: -58.746
flat angles C4'-P-C4' energy: -69.425
flat angles P-C4'-P energy: -40.065
tors. eta vs tors. theta energy: -74.388
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: 7
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -939.442393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.442393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.442393 (E_RNA)
where:
Base-Base interactions energy: -673.838
where: short stacking energy: -278.704
Base-Backbone interact. energy: 0.390
local terms energy: -265.994714
where:
bonds (distance) C4'-P energy: -41.324
bonds (distance) P-C4' energy: -56.985
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: -79.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -894.686191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.686191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.686191 (E_RNA)
where:
Base-Base interactions energy: -616.792
where: short stacking energy: -264.153
Base-Backbone interact. energy: 2.347
local terms energy: -280.241346
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -76.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -878.188466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.188466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.188466 (E_RNA)
where:
Base-Base interactions energy: -619.922
where: short stacking energy: -266.633
Base-Backbone interact. energy: -0.253
local terms energy: -258.013348
where:
bonds (distance) C4'-P energy: -44.983
bonds (distance) P-C4' energy: -51.570
flat angles C4'-P-C4' energy: -56.276
flat angles P-C4'-P energy: -31.597
tors. eta vs tors. theta energy: -73.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -756.822089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.822089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.822089 (E_RNA)
where:
Base-Base interactions energy: -516.668
where: short stacking energy: -225.451
Base-Backbone interact. energy: 0.128
local terms energy: -240.281320
where:
bonds (distance) C4'-P energy: -48.203
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -46.627
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: -64.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -580.994154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.994154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.994154 (E_RNA)
where:
Base-Base interactions energy: -376.477
where: short stacking energy: -192.598
Base-Backbone interact. energy: 1.025
local terms energy: -205.542011
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -41.104
flat angles C4'-P-C4' energy: -51.498
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -35.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -480.381548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.381548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.381548 (E_RNA)
where:
Base-Base interactions energy: -295.389
where: short stacking energy: -149.284
Base-Backbone interact. energy: -0.927
local terms energy: -184.065985
where:
bonds (distance) C4'-P energy: -49.218
bonds (distance) P-C4' energy: -41.972
flat angles C4'-P-C4' energy: -44.870
flat angles P-C4'-P energy: -31.096
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1137.390847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.390847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.390847 (E_RNA)
where:
Base-Base interactions energy: -816.302
where: short stacking energy: -344.332
Base-Backbone interact. energy: -0.556
local terms energy: -320.532198
where:
bonds (distance) C4'-P energy: -57.266
bonds (distance) P-C4' energy: -54.963
flat angles C4'-P-C4' energy: -65.150
flat angles P-C4'-P energy: -46.315
tors. eta vs tors. theta energy: -96.839
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: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1083.285545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.285545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.285545 (E_RNA)
where:
Base-Base interactions energy: -762.879
where: short stacking energy: -336.531
Base-Backbone interact. energy: -0.083
local terms energy: -320.323632
where:
bonds (distance) C4'-P energy: -57.051
bonds (distance) P-C4' energy: -55.852
flat angles C4'-P-C4' energy: -71.560
flat angles P-C4'-P energy: -40.652
tors. eta vs tors. theta energy: -95.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1062.328461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.328461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.328461 (E_RNA)
where:
Base-Base interactions energy: -755.500
where: short stacking energy: -316.388
Base-Backbone interact. energy: 6.291
local terms energy: -313.119099
where:
bonds (distance) C4'-P energy: -62.355
bonds (distance) P-C4' energy: -55.084
flat angles C4'-P-C4' energy: -66.902
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -90.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -999.759008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.759008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.759008 (E_RNA)
where:
Base-Base interactions energy: -688.997
where: short stacking energy: -293.825
Base-Backbone interact. energy: -1.327
local terms energy: -309.434681
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -52.648
flat angles C4'-P-C4' energy: -69.246
flat angles P-C4'-P energy: -53.291
tors. eta vs tors. theta energy: -75.926
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: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -961.347645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.347645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.347645 (E_RNA)
where:
Base-Base interactions energy: -653.688
where: short stacking energy: -281.687
Base-Backbone interact. energy: -0.138
local terms energy: -307.522244
where:
bonds (distance) C4'-P energy: -57.120
bonds (distance) P-C4' energy: -54.833
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -87.977
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: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -898.875931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.875931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.875931 (E_RNA)
where:
Base-Base interactions energy: -615.085
where: short stacking energy: -269.569
Base-Backbone interact. energy: -0.701
local terms energy: -283.090656
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -51.456
flat angles C4'-P-C4' energy: -58.897
flat angles P-C4'-P energy: -42.756
tors. eta vs tors. theta energy: -77.741
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: 162
Temperature: 1.200000
Total energy: -877.866856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.866856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.866856 (E_RNA)
where:
Base-Base interactions energy: -588.070
where: short stacking energy: -244.050
Base-Backbone interact. energy: -0.953
local terms energy: -288.843672
where:
bonds (distance) C4'-P energy: -59.976
bonds (distance) P-C4' energy: -63.610
flat angles C4'-P-C4' energy: -59.540
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -63.269
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: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -758.810134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.810134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.810134 (E_RNA)
where:
Base-Base interactions energy: -501.855
where: short stacking energy: -210.255
Base-Backbone interact. energy: -1.624
local terms energy: -255.331481
where:
bonds (distance) C4'-P energy: -58.301
bonds (distance) P-C4' energy: -54.082
flat angles C4'-P-C4' energy: -59.309
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -55.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -575.107435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.107435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.107435 (E_RNA)
where:
Base-Base interactions energy: -360.991
where: short stacking energy: -174.949
Base-Backbone interact. energy: 2.632
local terms energy: -216.748685
where:
bonds (distance) C4'-P energy: -45.884
bonds (distance) P-C4' energy: -64.902
flat angles C4'-P-C4' energy: -43.279
flat angles P-C4'-P energy: -31.343
tors. eta vs tors. theta energy: -31.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -422.333292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.333292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.333292 (E_RNA)
where:
Base-Base interactions energy: -220.010
where: short stacking energy: -118.613
Base-Backbone interact. energy: -2.186
local terms energy: -200.136461
where:
bonds (distance) C4'-P energy: -45.987
bonds (distance) P-C4' energy: -64.970
flat angles C4'-P-C4' energy: -39.453
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1136.827285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.827285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.827285 (E_RNA)
where:
Base-Base interactions energy: -805.263
where: short stacking energy: -334.197
Base-Backbone interact. energy: -1.849
local terms energy: -329.715235
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -63.605
flat angles C4'-P-C4' energy: -72.491
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -93.775
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: 6
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1053.164093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.164093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.164093 (E_RNA)
where:
Base-Base interactions energy: -740.947
where: short stacking energy: -324.055
Base-Backbone interact. energy: -0.777
local terms energy: -311.440404
where:
bonds (distance) C4'-P energy: -54.156
bonds (distance) P-C4' energy: -57.322
flat angles C4'-P-C4' energy: -60.245
flat angles P-C4'-P energy: -48.861
tors. eta vs tors. theta energy: -90.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1048.321088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.321088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.321088 (E_RNA)
where:
Base-Base interactions energy: -731.359
where: short stacking energy: -304.166
Base-Backbone interact. energy: -2.880
local terms energy: -314.082253
where:
bonds (distance) C4'-P energy: -58.390
bonds (distance) P-C4' energy: -66.187
flat angles C4'-P-C4' energy: -60.668
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -80.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -992.876509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.876509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.876509 (E_RNA)
where:
Base-Base interactions energy: -697.924
where: short stacking energy: -296.888
Base-Backbone interact. energy: -1.899
local terms energy: -293.053164
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -49.663
flat angles C4'-P-C4' energy: -68.238
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -73.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -933.523167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.523167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.523167 (E_RNA)
where:
Base-Base interactions energy: -659.165
where: short stacking energy: -285.061
Base-Backbone interact. energy: 0.132
local terms energy: -274.490432
where:
bonds (distance) C4'-P energy: -60.208
bonds (distance) P-C4' energy: -48.294
flat angles C4'-P-C4' energy: -52.543
flat angles P-C4'-P energy: -43.002
tors. eta vs tors. theta energy: -70.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -862.076177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.076177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.076177 (E_RNA)
where:
Base-Base interactions energy: -614.349
where: short stacking energy: -252.239
Base-Backbone interact. energy: -1.209
local terms energy: -246.517617
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -58.491
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -878.289232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.289232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.289232 (E_RNA)
where:
Base-Base interactions energy: -580.398
where: short stacking energy: -259.166
Base-Backbone interact. energy: -0.664
local terms energy: -297.227530
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -58.901
flat angles C4'-P-C4' energy: -63.601
flat angles P-C4'-P energy: -44.249
tors. eta vs tors. theta energy: -77.765
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: 5
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -753.738437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.738437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.738437 (E_RNA)
where:
Base-Base interactions energy: -508.509
where: short stacking energy: -234.887
Base-Backbone interact. energy: 0.345
local terms energy: -245.574768
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -46.139
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -57.913
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: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -569.772864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.772864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.772864 (E_RNA)
where:
Base-Base interactions energy: -351.475
where: short stacking energy: -166.862
Base-Backbone interact. energy: -0.458
local terms energy: -217.839643
where:
bonds (distance) C4'-P energy: -46.218
bonds (distance) P-C4' energy: -54.590
flat angles C4'-P-C4' energy: -49.289
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -36.059
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: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -423.331015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.331015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.331015 (E_RNA)
where:
Base-Base interactions energy: -233.705
where: short stacking energy: -110.971
Base-Backbone interact. energy: 0.210
local terms energy: -189.836046
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -53.398
flat angles C4'-P-C4' energy: -43.368
flat angles P-C4'-P energy: -32.216
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1166.893925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.893925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.893925 (E_RNA)
where:
Base-Base interactions energy: -830.320
where: short stacking energy: -337.887
Base-Backbone interact. energy: -1.087
local terms energy: -335.486327
where:
bonds (distance) C4'-P energy: -59.431
bonds (distance) P-C4' energy: -62.770
flat angles C4'-P-C4' energy: -67.319
flat angles P-C4'-P energy: -46.972
tors. eta vs tors. theta energy: -98.995
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: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1072.743083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.743083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.743083 (E_RNA)
where:
Base-Base interactions energy: -747.552
where: short stacking energy: -326.389
Base-Backbone interact. energy: -0.345
local terms energy: -324.845255
where:
bonds (distance) C4'-P energy: -56.794
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -68.969
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -99.765
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: 164
Temperature: 1.000000
Total energy: -1024.089593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.089593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.089593 (E_RNA)
where:
Base-Base interactions energy: -721.992
where: short stacking energy: -304.919
Base-Backbone interact. energy: -1.263
local terms energy: -300.835266
where:
bonds (distance) C4'-P energy: -52.516
bonds (distance) P-C4' energy: -58.629
flat angles C4'-P-C4' energy: -63.067
flat angles P-C4'-P energy: -40.330
tors. eta vs tors. theta energy: -86.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -979.553210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.553210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.553210 (E_RNA)
where:
Base-Base interactions energy: -695.635
where: short stacking energy: -286.847
Base-Backbone interact. energy: 0.842
local terms energy: -284.759921
where:
bonds (distance) C4'-P energy: -52.247
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -58.983
flat angles P-C4'-P energy: -42.123
tors. eta vs tors. theta energy: -71.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -941.873536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.873536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.873536 (E_RNA)
where:
Base-Base interactions energy: -642.341
where: short stacking energy: -280.422
Base-Backbone interact. energy: -0.999
local terms energy: -298.533845
where:
bonds (distance) C4'-P energy: -52.111
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -43.572
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: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -848.814050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.814050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.814050 (E_RNA)
where:
Base-Base interactions energy: -595.075
where: short stacking energy: -224.767
Base-Backbone interact. energy: 1.206
local terms energy: -254.944378
where:
bonds (distance) C4'-P energy: -53.406
bonds (distance) P-C4' energy: -53.179
flat angles C4'-P-C4' energy: -52.941
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -51.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -845.927375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.927375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.927375 (E_RNA)
where:
Base-Base interactions energy: -574.750
where: short stacking energy: -255.335
Base-Backbone interact. energy: 0.553
local terms energy: -271.730069
where:
bonds (distance) C4'-P energy: -60.024
bonds (distance) P-C4' energy: -45.744
flat angles C4'-P-C4' energy: -57.821
flat angles P-C4'-P energy: -38.808
tors. eta vs tors. theta energy: -69.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -787.621410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.621410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.621410 (E_RNA)
where:
Base-Base interactions energy: -534.826
where: short stacking energy: -229.419
Base-Backbone interact. energy: -1.094
local terms energy: -251.701867
where:
bonds (distance) C4'-P energy: -60.193
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -27.631
tors. eta vs tors. theta energy: -56.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -532.178320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.178320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.178320 (E_RNA)
where:
Base-Base interactions energy: -320.304
where: short stacking energy: -153.523
Base-Backbone interact. energy: -0.862
local terms energy: -211.012782
where:
bonds (distance) C4'-P energy: -49.475
bonds (distance) P-C4' energy: -55.939
flat angles C4'-P-C4' energy: -37.119
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -32.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -420.369366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.369366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.369366 (E_RNA)
where:
Base-Base interactions energy: -237.444
where: short stacking energy: -136.041
Base-Backbone interact. energy: -0.882
local terms energy: -182.042862
where:
bonds (distance) C4'-P energy: -49.149
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -25.299
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1163.078920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.078920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.078920 (E_RNA)
where:
Base-Base interactions energy: -844.014
where: short stacking energy: -349.095
Base-Backbone interact. energy: -2.173
local terms energy: -316.891597
where:
bonds (distance) C4'-P energy: -53.657
bonds (distance) P-C4' energy: -57.667
flat angles C4'-P-C4' energy: -69.147
flat angles P-C4'-P energy: -43.133
tors. eta vs tors. theta energy: -93.288
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: 6
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1093.518902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.518902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.518902 (E_RNA)
where:
Base-Base interactions energy: -775.528
where: short stacking energy: -341.796
Base-Backbone interact. energy: -0.129
local terms energy: -317.861492
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -69.960
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -95.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1002.430404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.430404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.430404 (E_RNA)
where:
Base-Base interactions energy: -696.650
where: short stacking energy: -293.343
Base-Backbone interact. energy: -1.973
local terms energy: -303.806728
where:
bonds (distance) C4'-P energy: -48.842
bonds (distance) P-C4' energy: -61.289
flat angles C4'-P-C4' energy: -73.984
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -85.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -949.575712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.575712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.575712 (E_RNA)
where:
Base-Base interactions energy: -664.058
where: short stacking energy: -283.343
Base-Backbone interact. energy: -1.871
local terms energy: -283.646687
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -64.908
flat angles P-C4'-P energy: -35.865
tors. eta vs tors. theta energy: -70.577
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: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -942.603499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.603499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.603499 (E_RNA)
where:
Base-Base interactions energy: -654.871
where: short stacking energy: -275.719
Base-Backbone interact. energy: -0.813
local terms energy: -286.919060
where:
bonds (distance) C4'-P energy: -48.451
bonds (distance) P-C4' energy: -62.768
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -76.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -878.964305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.964305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.964305 (E_RNA)
where:
Base-Base interactions energy: -593.283
where: short stacking energy: -249.406
Base-Backbone interact. energy: 1.779
local terms energy: -287.459988
where:
bonds (distance) C4'-P energy: -56.513
bonds (distance) P-C4' energy: -59.052
flat angles C4'-P-C4' energy: -63.989
flat angles P-C4'-P energy: -40.393
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: 165
Temperature: 1.200000
Total energy: -844.962937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.962937 (E_RNA)
where:
Base-Base interactions energy: -585.851
where: short stacking energy: -261.240
Base-Backbone interact. energy: 0.354
local terms energy: -259.465665
where:
bonds (distance) C4'-P energy: -53.976
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -55.830
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -67.818
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -780.121369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.121369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.121369 (E_RNA)
where:
Base-Base interactions energy: -534.307
where: short stacking energy: -254.512
Base-Backbone interact. energy: -1.390
local terms energy: -244.424323
where:
bonds (distance) C4'-P energy: -43.020
bonds (distance) P-C4' energy: -42.228
flat angles C4'-P-C4' energy: -57.281
flat angles P-C4'-P energy: -36.263
tors. eta vs tors. theta energy: -65.632
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: 9, replica: 4
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -513.204152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.204152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.204152 (E_RNA)
where:
Base-Base interactions energy: -308.691
where: short stacking energy: -150.390
Base-Backbone interact. energy: -2.023
local terms energy: -202.490353
where:
bonds (distance) C4'-P energy: -49.278
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -46.980
flat angles P-C4'-P energy: -32.464
tors. eta vs tors. theta energy: -20.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -384.488109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.488109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.488109 (E_RNA)
where:
Base-Base interactions energy: -204.895
where: short stacking energy: -115.803
Base-Backbone interact. energy: -0.884
local terms energy: -178.708675
where:
bonds (distance) C4'-P energy: -50.288
bonds (distance) P-C4' energy: -46.202
flat angles C4'-P-C4' energy: -37.531
flat angles P-C4'-P energy: -33.913
tors. eta vs tors. theta energy: -10.774
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: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1130.624132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.624132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.624132 (E_RNA)
where:
Base-Base interactions energy: -794.891
where: short stacking energy: -332.749
Base-Backbone interact. energy: -1.777
local terms energy: -333.955480
where:
bonds (distance) C4'-P energy: -66.245
bonds (distance) P-C4' energy: -58.666
flat angles C4'-P-C4' energy: -62.262
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -99.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1099.616905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.616905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.616905 (E_RNA)
where:
Base-Base interactions energy: -785.869
where: short stacking energy: -320.492
Base-Backbone interact. energy: -0.595
local terms energy: -313.153093
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -63.844
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -93.620
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: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1019.010748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.010748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.010748 (E_RNA)
where:
Base-Base interactions energy: -710.146
where: short stacking energy: -301.094
Base-Backbone interact. energy: -2.169
local terms energy: -306.695682
where:
bonds (distance) C4'-P energy: -55.897
bonds (distance) P-C4' energy: -59.689
flat angles C4'-P-C4' energy: -67.351
flat angles P-C4'-P energy: -41.803
tors. eta vs tors. theta energy: -81.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -988.132605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.132605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.132605 (E_RNA)
where:
Base-Base interactions energy: -677.186
where: short stacking energy: -310.481
Base-Backbone interact. energy: -2.819
local terms energy: -308.128023
where:
bonds (distance) C4'-P energy: -60.340
bonds (distance) P-C4' energy: -59.970
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -47.912
tors. eta vs tors. theta energy: -78.876
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: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -913.993098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.993098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.993098 (E_RNA)
where:
Base-Base interactions energy: -646.846
where: short stacking energy: -277.801
Base-Backbone interact. energy: -1.324
local terms energy: -265.823151
where:
bonds (distance) C4'-P energy: -57.388
bonds (distance) P-C4' energy: -49.808
flat angles C4'-P-C4' energy: -63.083
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -74.149
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: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -882.514399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.514399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.514399 (E_RNA)
where:
Base-Base interactions energy: -598.307
where: short stacking energy: -268.551
Base-Backbone interact. energy: -0.828
local terms energy: -283.379964
where:
bonds (distance) C4'-P energy: -47.761
bonds (distance) P-C4' energy: -61.426
flat angles C4'-P-C4' energy: -63.489
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -68.132
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: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -844.920627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.920627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.920627 (E_RNA)
where:
Base-Base interactions energy: -580.169
where: short stacking energy: -246.402
Base-Backbone interact. energy: 4.165
local terms energy: -268.915977
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -59.318
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -34.933
tors. eta vs tors. theta energy: -61.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -717.680443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.680443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.680443 (E_RNA)
where:
Base-Base interactions energy: -480.760
where: short stacking energy: -207.683
Base-Backbone interact. energy: -1.482
local terms energy: -235.438492
where:
bonds (distance) C4'-P energy: -51.406
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -53.479
flat angles P-C4'-P energy: -26.542
tors. eta vs tors. theta energy: -46.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -513.397261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.397261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.397261 (E_RNA)
where:
Base-Base interactions energy: -300.962
where: short stacking energy: -145.709
Base-Backbone interact. energy: -0.930
local terms energy: -211.505189
where:
bonds (distance) C4'-P energy: -50.117
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -54.470
flat angles P-C4'-P energy: -35.765
tors. eta vs tors. theta energy: -22.749
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: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -430.730748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.730748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.730748 (E_RNA)
where:
Base-Base interactions energy: -242.210
where: short stacking energy: -126.389
Base-Backbone interact. energy: 0.441
local terms energy: -188.961451
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -50.141
flat angles C4'-P-C4' energy: -46.929
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1143.149235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.149235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.149235 (E_RNA)
where:
Base-Base interactions energy: -809.362
where: short stacking energy: -325.613
Base-Backbone interact. energy: -1.482
local terms energy: -332.305651
where:
bonds (distance) C4'-P energy: -62.457
bonds (distance) P-C4' energy: -62.397
flat angles C4'-P-C4' energy: -66.418
flat angles P-C4'-P energy: -42.981
tors. eta vs tors. theta energy: -98.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1090.738731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.738731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.738731 (E_RNA)
where:
Base-Base interactions energy: -769.698
where: short stacking energy: -326.403
Base-Backbone interact. energy: -1.606
local terms energy: -319.434894
where:
bonds (distance) C4'-P energy: -61.854
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -66.808
flat angles P-C4'-P energy: -40.604
tors. eta vs tors. theta energy: -98.365
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1025.370123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.370123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.370123 (E_RNA)
where:
Base-Base interactions energy: -710.138
where: short stacking energy: -306.694
Base-Backbone interact. energy: -0.898
local terms energy: -314.333258
where:
bonds (distance) C4'-P energy: -59.302
bonds (distance) P-C4' energy: -64.892
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -83.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -988.739590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.739590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.739590 (E_RNA)
where:
Base-Base interactions energy: -689.529
where: short stacking energy: -288.897
Base-Backbone interact. energy: -1.633
local terms energy: -297.577002
where:
bonds (distance) C4'-P energy: -61.962
bonds (distance) P-C4' energy: -54.276
flat angles C4'-P-C4' energy: -64.170
flat angles P-C4'-P energy: -40.941
tors. eta vs tors. theta energy: -76.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -925.489868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.489868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.489868 (E_RNA)
where:
Base-Base interactions energy: -627.584
where: short stacking energy: -279.918
Base-Backbone interact. energy: -0.224
local terms energy: -297.681955
where:
bonds (distance) C4'-P energy: -63.143
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -37.636
tors. eta vs tors. theta energy: -72.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -894.984150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.984150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.984150 (E_RNA)
where:
Base-Base interactions energy: -625.898
where: short stacking energy: -276.745
Base-Backbone interact. energy: -1.457
local terms energy: -267.628854
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -50.125
flat angles C4'-P-C4' energy: -52.425
flat angles P-C4'-P energy: -33.132
tors. eta vs tors. theta energy: -75.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -807.891398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.891398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.891398 (E_RNA)
where:
Base-Base interactions energy: -555.083
where: short stacking energy: -250.103
Base-Backbone interact. energy: 0.147
local terms energy: -252.954779
where:
bonds (distance) C4'-P energy: -46.661
bonds (distance) P-C4' energy: -46.298
flat angles C4'-P-C4' energy: -62.297
flat angles P-C4'-P energy: -40.720
tors. eta vs tors. theta energy: -56.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -742.257987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.257987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.257987 (E_RNA)
where:
Base-Base interactions energy: -479.983
where: short stacking energy: -219.866
Base-Backbone interact. energy: -1.151
local terms energy: -261.123136
where:
bonds (distance) C4'-P energy: -56.727
bonds (distance) P-C4' energy: -43.696
flat angles C4'-P-C4' energy: -63.550
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: -54.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -531.908542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.908542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.908542 (E_RNA)
where:
Base-Base interactions energy: -313.981
where: short stacking energy: -154.386
Base-Backbone interact. energy: 0.066
local terms energy: -217.993724
where:
bonds (distance) C4'-P energy: -59.918
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -425.804192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.804192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.804192 (E_RNA)
where:
Base-Base interactions energy: -225.005
where: short stacking energy: -127.139
Base-Backbone interact. energy: -0.923
local terms energy: -199.876137
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -51.031
flat angles C4'-P-C4' energy: -56.257
flat angles P-C4'-P energy: -29.916
tors. eta vs tors. theta energy: -11.691
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: 6
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1102.651392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.651392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.651392 (E_RNA)
where:
Base-Base interactions energy: -767.856
where: short stacking energy: -339.667
Base-Backbone interact. energy: 0.300
local terms energy: -335.095591
where:
bonds (distance) C4'-P energy: -55.077
bonds (distance) P-C4' energy: -63.506
flat angles C4'-P-C4' energy: -67.548
flat angles P-C4'-P energy: -51.837
tors. eta vs tors. theta energy: -97.128
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: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1117.678568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.678568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.678568 (E_RNA)
where:
Base-Base interactions energy: -787.667
where: short stacking energy: -343.840
Base-Backbone interact. energy: -1.118
local terms energy: -328.893208
where:
bonds (distance) C4'-P energy: -58.968
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -96.794
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: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1033.776029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.776029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.776029 (E_RNA)
where:
Base-Base interactions energy: -717.052
where: short stacking energy: -278.345
Base-Backbone interact. energy: 0.569
local terms energy: -317.293201
where:
bonds (distance) C4'-P energy: -61.019
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -68.062
flat angles P-C4'-P energy: -41.367
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: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -979.238353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.238353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.238353 (E_RNA)
where:
Base-Base interactions energy: -693.535
where: short stacking energy: -289.627
Base-Backbone interact. energy: -1.184
local terms energy: -284.518720
where:
bonds (distance) C4'-P energy: -57.045
bonds (distance) P-C4' energy: -42.675
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -82.315
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: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -924.126965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.126965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.126965 (E_RNA)
where:
Base-Base interactions energy: -622.719
where: short stacking energy: -253.164
Base-Backbone interact. energy: -0.816
local terms energy: -300.592701
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -68.822
flat angles P-C4'-P energy: -38.883
tors. eta vs tors. theta energy: -72.802
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -896.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.814524 (E_RNA)
where:
Base-Base interactions energy: -616.284
where: short stacking energy: -252.927
Base-Backbone interact. energy: -1.599
local terms energy: -278.931558
where:
bonds (distance) C4'-P energy: -61.414
bonds (distance) P-C4' energy: -52.843
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -63.944
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: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -820.064622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.064622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.064622 (E_RNA)
where:
Base-Base interactions energy: -572.683
where: short stacking energy: -255.876
Base-Backbone interact. energy: -0.866
local terms energy: -246.516012
where:
bonds (distance) C4'-P energy: -56.040
bonds (distance) P-C4' energy: -45.491
flat angles C4'-P-C4' energy: -46.546
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -65.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -746.480167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.480167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.480167 (E_RNA)
where:
Base-Base interactions energy: -480.783
where: short stacking energy: -223.506
Base-Backbone interact. energy: -1.206
local terms energy: -264.491819
where:
bonds (distance) C4'-P energy: -56.832
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -63.077
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -54.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -549.578998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.578998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.578998 (E_RNA)
where:
Base-Base interactions energy: -327.773
where: short stacking energy: -145.792
Base-Backbone interact. energy: -0.894
local terms energy: -220.912029
where:
bonds (distance) C4'-P energy: -46.318
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -24.537
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: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -429.998391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.998391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.998391 (E_RNA)
where:
Base-Base interactions energy: -230.711
where: short stacking energy: -115.410
Base-Backbone interact. energy: -1.261
local terms energy: -198.026235
where:
bonds (distance) C4'-P energy: -36.202
bonds (distance) P-C4' energy: -62.642
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -27.260
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1095.685245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.685245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.685245 (E_RNA)
where:
Base-Base interactions energy: -765.884
where: short stacking energy: -327.105
Base-Backbone interact. energy: -0.585
local terms energy: -329.215566
where:
bonds (distance) C4'-P energy: -61.212
bonds (distance) P-C4' energy: -65.275
flat angles C4'-P-C4' energy: -70.680
flat angles P-C4'-P energy: -42.138
tors. eta vs tors. theta energy: -89.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1108.896076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.896076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.896076 (E_RNA)
where:
Base-Base interactions energy: -799.236
where: short stacking energy: -322.970
Base-Backbone interact. energy: -1.648
local terms energy: -308.012646
where:
bonds (distance) C4'-P energy: -58.213
bonds (distance) P-C4' energy: -56.819
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -42.451
tors. eta vs tors. theta energy: -93.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1025.165537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.165537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.165537 (E_RNA)
where:
Base-Base interactions energy: -716.150
where: short stacking energy: -304.716
Base-Backbone interact. energy: -1.039
local terms energy: -307.976733
where:
bonds (distance) C4'-P energy: -54.326
bonds (distance) P-C4' energy: -66.955
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -84.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1000.262962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.262962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.262962 (E_RNA)
where:
Base-Base interactions energy: -708.104
where: short stacking energy: -298.600
Base-Backbone interact. energy: -1.151
local terms energy: -291.008172
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -54.117
flat angles C4'-P-C4' energy: -68.507
flat angles P-C4'-P energy: -35.991
tors. eta vs tors. theta energy: -86.128
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: 7
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -868.691681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.691681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.691681 (E_RNA)
where:
Base-Base interactions energy: -586.161
where: short stacking energy: -255.832
Base-Backbone interact. energy: -1.403
local terms energy: -281.127776
where:
bonds (distance) C4'-P energy: -51.125
bonds (distance) P-C4' energy: -59.059
flat angles C4'-P-C4' energy: -62.290
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -67.928
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: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -880.123093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.123093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.123093 (E_RNA)
where:
Base-Base interactions energy: -615.503
where: short stacking energy: -260.424
Base-Backbone interact. energy: 4.393
local terms energy: -269.012827
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -56.173
flat angles C4'-P-C4' energy: -60.995
flat angles P-C4'-P energy: -24.929
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -787.388127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.388127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.388127 (E_RNA)
where:
Base-Base interactions energy: -545.988
where: short stacking energy: -233.693
Base-Backbone interact. energy: 2.729
local terms energy: -244.129739
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -40.778
flat angles C4'-P-C4' energy: -57.069
flat angles P-C4'-P energy: -42.606
tors. eta vs tors. theta energy: -48.310
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: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -679.538641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.538641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.538641 (E_RNA)
where:
Base-Base interactions energy: -440.421
where: short stacking energy: -202.650
Base-Backbone interact. energy: -0.530
local terms energy: -238.587053
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -60.090
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -37.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -535.594874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.594874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.594874 (E_RNA)
where:
Base-Base interactions energy: -341.967
where: short stacking energy: -181.567
Base-Backbone interact. energy: -0.527
local terms energy: -193.101854
where:
bonds (distance) C4'-P energy: -41.350
bonds (distance) P-C4' energy: -53.168
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -31.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -424.439051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.439051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.439051 (E_RNA)
where:
Base-Base interactions energy: -225.907
where: short stacking energy: -120.146
Base-Backbone interact. energy: -1.893
local terms energy: -196.639218
where:
bonds (distance) C4'-P energy: -46.288
bonds (distance) P-C4' energy: -58.831
flat angles C4'-P-C4' energy: -50.613
flat angles P-C4'-P energy: -28.512
tors. eta vs tors. theta energy: -12.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1145.271308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.271308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.271308 (E_RNA)
where:
Base-Base interactions energy: -823.340
where: short stacking energy: -338.524
Base-Backbone interact. energy: 0.717
local terms energy: -322.648232
where:
bonds (distance) C4'-P energy: -60.273
bonds (distance) P-C4' energy: -54.526
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -47.014
tors. eta vs tors. theta energy: -89.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1085.308625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.308625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.308625 (E_RNA)
where:
Base-Base interactions energy: -752.002
where: short stacking energy: -331.493
Base-Backbone interact. energy: -0.974
local terms energy: -332.332361
where:
bonds (distance) C4'-P energy: -60.306
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -75.334
flat angles P-C4'-P energy: -40.256
tors. eta vs tors. theta energy: -99.221
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: 3, replica: 3
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1032.435665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.435665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.435665 (E_RNA)
where:
Base-Base interactions energy: -724.138
where: short stacking energy: -302.648
Base-Backbone interact. energy: -1.587
local terms energy: -306.710593
where:
bonds (distance) C4'-P energy: -61.100
bonds (distance) P-C4' energy: -62.295
flat angles C4'-P-C4' energy: -56.780
flat angles P-C4'-P energy: -43.937
tors. eta vs tors. theta energy: -82.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -990.978746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.978746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.978746 (E_RNA)
where:
Base-Base interactions energy: -699.817
where: short stacking energy: -304.222
Base-Backbone interact. energy: -0.936
local terms energy: -290.226193
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -61.628
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -75.486
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: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -910.613855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.613855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.613855 (E_RNA)
where:
Base-Base interactions energy: -639.280
where: short stacking energy: -269.459
Base-Backbone interact. energy: 0.415
local terms energy: -271.748553
where:
bonds (distance) C4'-P energy: -44.950
bonds (distance) P-C4' energy: -53.047
flat angles C4'-P-C4' energy: -58.484
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -72.035
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: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -858.636309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.636309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.636309 (E_RNA)
where:
Base-Base interactions energy: -592.977
where: short stacking energy: -255.957
Base-Backbone interact. energy: -1.345
local terms energy: -264.314047
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -61.397
flat angles C4'-P-C4' energy: -63.218
flat angles P-C4'-P energy: -25.634
tors. eta vs tors. theta energy: -58.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -746.439162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.439162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.439162 (E_RNA)
where:
Base-Base interactions energy: -508.485
where: short stacking energy: -230.044
Base-Backbone interact. energy: -1.299
local terms energy: -236.655215
where:
bonds (distance) C4'-P energy: -51.076
bonds (distance) P-C4' energy: -50.326
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -52.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -707.385419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.385419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.385419 (E_RNA)
where:
Base-Base interactions energy: -447.970
where: short stacking energy: -193.315
Base-Backbone interact. energy: -0.840
local terms energy: -258.574871
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -69.021
flat angles C4'-P-C4' energy: -55.345
flat angles P-C4'-P energy: -42.055
tors. eta vs tors. theta energy: -40.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -525.825296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.825296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.825296 (E_RNA)
where:
Base-Base interactions energy: -292.200
where: short stacking energy: -154.169
Base-Backbone interact. energy: 1.042
local terms energy: -234.667406
where:
bonds (distance) C4'-P energy: -56.162
bonds (distance) P-C4' energy: -54.160
flat angles C4'-P-C4' energy: -56.834
flat angles P-C4'-P energy: -32.740
tors. eta vs tors. theta energy: -34.771
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: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -417.406748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.406748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.406748 (E_RNA)
where:
Base-Base interactions energy: -221.419
where: short stacking energy: -126.557
Base-Backbone interact. energy: -0.464
local terms energy: -195.523242
where:
bonds (distance) C4'-P energy: -42.754
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -45.906
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -15.616
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: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1133.981157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.981157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.981157 (E_RNA)
where:
Base-Base interactions energy: -815.865
where: short stacking energy: -333.480
Base-Backbone interact. energy: -2.178
local terms energy: -315.938639
where:
bonds (distance) C4'-P energy: -55.690
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -71.492
flat angles P-C4'-P energy: -37.944
tors. eta vs tors. theta energy: -93.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1080.763755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.763755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.763755 (E_RNA)
where:
Base-Base interactions energy: -754.958
where: short stacking energy: -333.013
Base-Backbone interact. energy: 0.339
local terms energy: -326.145482
where:
bonds (distance) C4'-P energy: -58.574
bonds (distance) P-C4' energy: -56.058
flat angles C4'-P-C4' energy: -70.935
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -99.785
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: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1008.161171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.161171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.161171 (E_RNA)
where:
Base-Base interactions energy: -694.869
where: short stacking energy: -303.434
Base-Backbone interact. energy: -0.499
local terms energy: -312.793214
where:
bonds (distance) C4'-P energy: -61.213
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -44.172
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -974.546399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.546399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.546399 (E_RNA)
where:
Base-Base interactions energy: -694.527
where: short stacking energy: -283.905
Base-Backbone interact. energy: -1.782
local terms energy: -278.237857
where:
bonds (distance) C4'-P energy: -55.560
bonds (distance) P-C4' energy: -55.459
flat angles C4'-P-C4' energy: -65.984
flat angles P-C4'-P energy: -29.176
tors. eta vs tors. theta energy: -72.059
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: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -940.039551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.039551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.039551 (E_RNA)
where:
Base-Base interactions energy: -654.561
where: short stacking energy: -276.634
Base-Backbone interact. energy: -2.052
local terms energy: -283.426206
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -53.075
flat angles C4'-P-C4' energy: -63.614
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -74.606
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: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -888.460225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.460225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.460225 (E_RNA)
where:
Base-Base interactions energy: -620.854
where: short stacking energy: -257.673
Base-Backbone interact. energy: 0.016
local terms energy: -267.622708
where:
bonds (distance) C4'-P energy: -48.442
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -55.282
flat angles P-C4'-P energy: -33.352
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: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -756.584059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.584059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.584059 (E_RNA)
where:
Base-Base interactions energy: -521.941
where: short stacking energy: -222.442
Base-Backbone interact. energy: -0.983
local terms energy: -233.660291
where:
bonds (distance) C4'-P energy: -53.112
bonds (distance) P-C4' energy: -49.922
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -30.699
tors. eta vs tors. theta energy: -47.516
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: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -711.137017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.137017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.137017 (E_RNA)
where:
Base-Base interactions energy: -461.690
where: short stacking energy: -216.544
Base-Backbone interact. energy: 3.392
local terms energy: -252.838772
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -56.132
flat angles P-C4'-P energy: -42.097
tors. eta vs tors. theta energy: -57.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -538.266408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.266408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.266408 (E_RNA)
where:
Base-Base interactions energy: -313.879
where: short stacking energy: -143.212
Base-Backbone interact. energy: -1.341
local terms energy: -223.046993
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -53.052
flat angles C4'-P-C4' energy: -55.376
flat angles P-C4'-P energy: -31.823
tors. eta vs tors. theta energy: -35.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -496.461206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.461206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.461206 (E_RNA)
where:
Base-Base interactions energy: -297.669
where: short stacking energy: -141.624
Base-Backbone interact. energy: 1.422
local terms energy: -200.214278
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -37.242
flat angles P-C4'-P energy: -22.641
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1139.357865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.357865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.357865 (E_RNA)
where:
Base-Base interactions energy: -803.121
where: short stacking energy: -331.691
Base-Backbone interact. energy: -1.042
local terms energy: -335.195530
where:
bonds (distance) C4'-P energy: -61.858
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -66.530
flat angles P-C4'-P energy: -47.558
tors. eta vs tors. theta energy: -97.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1095.146399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.146399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.146399 (E_RNA)
where:
Base-Base interactions energy: -764.521
where: short stacking energy: -330.054
Base-Backbone interact. energy: -1.424
local terms energy: -329.201549
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -70.425
flat angles C4'-P-C4' energy: -63.579
flat angles P-C4'-P energy: -43.972
tors. eta vs tors. theta energy: -96.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1007.523902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.523902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.523902 (E_RNA)
where:
Base-Base interactions energy: -696.035
where: short stacking energy: -298.048
Base-Backbone interact. energy: -0.745
local terms energy: -310.743925
where:
bonds (distance) C4'-P energy: -62.491
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -64.764
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -78.341
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: 172
Temperature: 1.050000
Total energy: -975.161728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.161728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.161728 (E_RNA)
where:
Base-Base interactions energy: -679.316
where: short stacking energy: -276.091
Base-Backbone interact. energy: -1.388
local terms energy: -294.457230
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -58.946
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -44.916
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: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -925.209684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.209684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.209684 (E_RNA)
where:
Base-Base interactions energy: -646.256
where: short stacking energy: -276.036
Base-Backbone interact. energy: 2.207
local terms energy: -281.160978
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -50.964
flat angles C4'-P-C4' energy: -59.104
flat angles P-C4'-P energy: -40.830
tors. eta vs tors. theta energy: -70.711
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: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -906.347405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.347405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.347405 (E_RNA)
where:
Base-Base interactions energy: -616.658
where: short stacking energy: -263.500
Base-Backbone interact. energy: 0.516
local terms energy: -290.206372
where:
bonds (distance) C4'-P energy: -56.879
bonds (distance) P-C4' energy: -51.437
flat angles C4'-P-C4' energy: -62.994
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -77.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -767.581680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.581680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.581680 (E_RNA)
where:
Base-Base interactions energy: -497.781
where: short stacking energy: -220.200
Base-Backbone interact. energy: -0.869
local terms energy: -268.932152
where:
bonds (distance) C4'-P energy: -41.974
bonds (distance) P-C4' energy: -53.627
flat angles C4'-P-C4' energy: -63.258
flat angles P-C4'-P energy: -44.746
tors. eta vs tors. theta energy: -65.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -669.611802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.611802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.611802 (E_RNA)
where:
Base-Base interactions energy: -450.092
where: short stacking energy: -205.139
Base-Backbone interact. energy: 0.372
local terms energy: -219.892192
where:
bonds (distance) C4'-P energy: -42.981
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -45.314
flat angles P-C4'-P energy: -35.863
tors. eta vs tors. theta energy: -38.545
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: 9, replica: 8
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -499.801247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.801247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.801247 (E_RNA)
where:
Base-Base interactions energy: -292.860
where: short stacking energy: -146.950
Base-Backbone interact. energy: -1.367
local terms energy: -205.574918
where:
bonds (distance) C4'-P energy: -45.569
bonds (distance) P-C4' energy: -64.528
flat angles C4'-P-C4' energy: -52.706
flat angles P-C4'-P energy: -22.138
tors. eta vs tors. theta energy: -20.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -509.916918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.916918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.916918 (E_RNA)
where:
Base-Base interactions energy: -304.681
where: short stacking energy: -162.589
Base-Backbone interact. energy: 2.952
local terms energy: -208.187530
where:
bonds (distance) C4'-P energy: -46.631
bonds (distance) P-C4' energy: -47.991
flat angles C4'-P-C4' energy: -59.365
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -34.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1144.148794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.148794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.148794 (E_RNA)
where:
Base-Base interactions energy: -812.577
where: short stacking energy: -346.713
Base-Backbone interact. energy: -3.230
local terms energy: -328.341592
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -54.484
flat angles C4'-P-C4' energy: -71.002
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: -97.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1088.649014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.649014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.649014 (E_RNA)
where:
Base-Base interactions energy: -762.881
where: short stacking energy: -328.536
Base-Backbone interact. energy: -1.011
local terms energy: -324.756755
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -61.017
flat angles C4'-P-C4' energy: -77.022
flat angles P-C4'-P energy: -46.645
tors. eta vs tors. theta energy: -89.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1012.378220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.378220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.378220 (E_RNA)
where:
Base-Base interactions energy: -706.478
where: short stacking energy: -304.206
Base-Backbone interact. energy: -2.093
local terms energy: -303.806741
where:
bonds (distance) C4'-P energy: -57.407
bonds (distance) P-C4' energy: -55.852
flat angles C4'-P-C4' energy: -68.926
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -78.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -978.741044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.741044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.741044 (E_RNA)
where:
Base-Base interactions energy: -683.342
where: short stacking energy: -292.365
Base-Backbone interact. energy: -1.388
local terms energy: -294.011156
where:
bonds (distance) C4'-P energy: -44.792
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -66.717
flat angles P-C4'-P energy: -41.612
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: 5, replica: 7
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -924.347737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.347737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.347737 (E_RNA)
where:
Base-Base interactions energy: -635.471
where: short stacking energy: -266.061
Base-Backbone interact. energy: -1.034
local terms energy: -287.842579
where:
bonds (distance) C4'-P energy: -47.489
bonds (distance) P-C4' energy: -64.880
flat angles C4'-P-C4' energy: -68.803
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -82.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -890.644776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.644776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.644776 (E_RNA)
where:
Base-Base interactions energy: -592.010
where: short stacking energy: -268.850
Base-Backbone interact. energy: -0.766
local terms energy: -297.868982
where:
bonds (distance) C4'-P energy: -65.222
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -54.803
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: -76.350
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: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -756.925521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.925521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.925521 (E_RNA)
where:
Base-Base interactions energy: -499.183
where: short stacking energy: -219.220
Base-Backbone interact. energy: -1.521
local terms energy: -256.221969
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -43.530
flat angles C4'-P-C4' energy: -52.412
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -54.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -656.244500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.244500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.244500 (E_RNA)
where:
Base-Base interactions energy: -422.984
where: short stacking energy: -189.921
Base-Backbone interact. energy: -1.063
local terms energy: -232.197514
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -50.404
flat angles P-C4'-P energy: -33.312
tors. eta vs tors. theta energy: -36.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -501.118340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.118340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.118340 (E_RNA)
where:
Base-Base interactions energy: -319.076
where: short stacking energy: -165.350
Base-Backbone interact. energy: -1.701
local terms energy: -180.340957
where:
bonds (distance) C4'-P energy: -38.406
bonds (distance) P-C4' energy: -51.167
flat angles C4'-P-C4' energy: -47.141
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -27.272
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -501.041363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.041363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.041363 (E_RNA)
where:
Base-Base interactions energy: -305.541
where: short stacking energy: -145.721
Base-Backbone interact. energy: 1.622
local terms energy: -197.123273
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -47.190
flat angles P-C4'-P energy: -20.450
tors. eta vs tors. theta energy: -23.527
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: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1148.230394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.230394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.230394 (E_RNA)
where:
Base-Base interactions energy: -827.174
where: short stacking energy: -337.073
Base-Backbone interact. energy: -0.893
local terms energy: -320.162814
where:
bonds (distance) C4'-P energy: -62.694
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -42.769
tors. eta vs tors. theta energy: -95.884
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: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1091.256705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.256705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.256705 (E_RNA)
where:
Base-Base interactions energy: -771.402
where: short stacking energy: -338.668
Base-Backbone interact. energy: -0.608
local terms energy: -319.247092
where:
bonds (distance) C4'-P energy: -58.113
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -73.869
flat angles P-C4'-P energy: -43.244
tors. eta vs tors. theta energy: -92.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1024.657948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.657948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.657948 (E_RNA)
where:
Base-Base interactions energy: -705.899
where: short stacking energy: -309.351
Base-Backbone interact. energy: -1.650
local terms energy: -317.108433
where:
bonds (distance) C4'-P energy: -60.254
bonds (distance) P-C4' energy: -59.041
flat angles C4'-P-C4' energy: -70.664
flat angles P-C4'-P energy: -47.335
tors. eta vs tors. theta energy: -79.815
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: 4, replica: 2
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1005.400853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.400853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.400853 (E_RNA)
where:
Base-Base interactions energy: -716.389
where: short stacking energy: -305.086
Base-Backbone interact. energy: 3.362
local terms energy: -292.373772
where:
bonds (distance) C4'-P energy: -49.968
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -34.261
tors. eta vs tors. theta energy: -81.854
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: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -926.278054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.278054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.278054 (E_RNA)
where:
Base-Base interactions energy: -654.622
where: short stacking energy: -280.335
Base-Backbone interact. energy: -1.391
local terms energy: -270.264983
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -43.988
flat angles C4'-P-C4' energy: -61.866
flat angles P-C4'-P energy: -30.078
tors. eta vs tors. theta energy: -73.018
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: 7
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -906.496766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.496766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.496766 (E_RNA)
where:
Base-Base interactions energy: -636.620
where: short stacking energy: -260.702
Base-Backbone interact. energy: -0.165
local terms energy: -269.711996
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -54.302
flat angles C4'-P-C4' energy: -55.576
flat angles P-C4'-P energy: -38.341
tors. eta vs tors. theta energy: -70.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -791.750821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.750821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.750821 (E_RNA)
where:
Base-Base interactions energy: -535.407
where: short stacking energy: -226.704
Base-Backbone interact. energy: -1.197
local terms energy: -255.146659
where:
bonds (distance) C4'-P energy: -51.700
bonds (distance) P-C4' energy: -51.153
flat angles C4'-P-C4' energy: -62.300
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -53.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -656.399279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.399279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.399279 (E_RNA)
where:
Base-Base interactions energy: -431.298
where: short stacking energy: -190.956
Base-Backbone interact. energy: -0.104
local terms energy: -224.997671
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -57.025
flat angles C4'-P-C4' energy: -51.964
flat angles P-C4'-P energy: -31.560
tors. eta vs tors. theta energy: -40.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -497.022611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.022611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.022611 (E_RNA)
where:
Base-Base interactions energy: -279.380
where: short stacking energy: -141.937
Base-Backbone interact. energy: 0.368
local terms energy: -218.010599
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -54.231
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -27.248
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: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -496.026310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.026310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.026310 (E_RNA)
where:
Base-Base interactions energy: -302.205
where: short stacking energy: -167.443
Base-Backbone interact. energy: 0.514
local terms energy: -194.335438
where:
bonds (distance) C4'-P energy: -45.211
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1147.512713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.512713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.512713 (E_RNA)
where:
Base-Base interactions energy: -810.545
where: short stacking energy: -333.340
Base-Backbone interact. energy: -3.231
local terms energy: -333.736364
where:
bonds (distance) C4'-P energy: -58.101
bonds (distance) P-C4' energy: -63.934
flat angles C4'-P-C4' energy: -70.293
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -95.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1082.689297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.689297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.689297 (E_RNA)
where:
Base-Base interactions energy: -753.442
where: short stacking energy: -327.775
Base-Backbone interact. energy: -0.686
local terms energy: -328.561178
where:
bonds (distance) C4'-P energy: -56.003
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -74.798
flat angles P-C4'-P energy: -44.468
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: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1042.511167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.511167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.511167 (E_RNA)
where:
Base-Base interactions energy: -719.580
where: short stacking energy: -311.436
Base-Backbone interact. energy: -1.097
local terms energy: -321.833256
where:
bonds (distance) C4'-P energy: -60.888
bonds (distance) P-C4' energy: -61.802
flat angles C4'-P-C4' energy: -72.363
flat angles P-C4'-P energy: -40.381
tors. eta vs tors. theta energy: -86.399
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: 2
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -996.409668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.409668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.409668 (E_RNA)
where:
Base-Base interactions energy: -699.706
where: short stacking energy: -291.834
Base-Backbone interact. energy: 1.589
local terms energy: -298.292989
where:
bonds (distance) C4'-P energy: -52.403
bonds (distance) P-C4' energy: -61.129
flat angles C4'-P-C4' energy: -67.961
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -78.158
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: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -920.488391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.488391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.488391 (E_RNA)
where:
Base-Base interactions energy: -644.223
where: short stacking energy: -282.783
Base-Backbone interact. energy: -1.288
local terms energy: -274.978270
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -48.800
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -77.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -892.615629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.615629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.615629 (E_RNA)
where:
Base-Base interactions energy: -625.546
where: short stacking energy: -265.632
Base-Backbone interact. energy: -1.111
local terms energy: -265.958078
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -36.375
tors. eta vs tors. theta energy: -73.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -777.952750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.952750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.952750 (E_RNA)
where:
Base-Base interactions energy: -528.466
where: short stacking energy: -228.545
Base-Backbone interact. energy: -1.633
local terms energy: -247.854342
where:
bonds (distance) C4'-P energy: -46.597
bonds (distance) P-C4' energy: -57.071
flat angles C4'-P-C4' energy: -49.321
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -55.217
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -679.354347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.354347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.354347 (E_RNA)
where:
Base-Base interactions energy: -444.530
where: short stacking energy: -194.982
Base-Backbone interact. energy: 2.065
local terms energy: -236.888760
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -53.573
flat angles C4'-P-C4' energy: -43.820
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -52.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -512.156691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.156691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.156691 (E_RNA)
where:
Base-Base interactions energy: -292.843
where: short stacking energy: -147.542
Base-Backbone interact. energy: 0.342
local terms energy: -219.656296
where:
bonds (distance) C4'-P energy: -50.190
bonds (distance) P-C4' energy: -61.146
flat angles C4'-P-C4' energy: -45.672
flat angles P-C4'-P energy: -35.450
tors. eta vs tors. theta energy: -27.199
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -506.144210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.144210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.144210 (E_RNA)
where:
Base-Base interactions energy: -323.160
where: short stacking energy: -161.778
Base-Backbone interact. energy: 2.922
local terms energy: -185.906354
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -47.142
flat angles C4'-P-C4' energy: -43.181
flat angles P-C4'-P energy: -29.613
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1145.640715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.640715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.640715 (E_RNA)
where:
Base-Base interactions energy: -814.111
where: short stacking energy: -343.670
Base-Backbone interact. energy: -5.101
local terms energy: -326.428835
where:
bonds (distance) C4'-P energy: -49.960
bonds (distance) P-C4' energy: -69.562
flat angles C4'-P-C4' energy: -64.601
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -101.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1097.966551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.966551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.966551 (E_RNA)
where:
Base-Base interactions energy: -773.043
where: short stacking energy: -330.523
Base-Backbone interact. energy: -0.007
local terms energy: -324.916393
where:
bonds (distance) C4'-P energy: -60.333
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -68.133
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -98.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1042.175078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.175078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.175078 (E_RNA)
where:
Base-Base interactions energy: -728.560
where: short stacking energy: -311.702
Base-Backbone interact. energy: 0.412
local terms energy: -314.026820
where:
bonds (distance) C4'-P energy: -68.095
bonds (distance) P-C4' energy: -53.516
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -46.716
tors. eta vs tors. theta energy: -82.611
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: 176
Temperature: 1.050000
Total energy: -999.187476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.187476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.187476 (E_RNA)
where:
Base-Base interactions energy: -690.828
where: short stacking energy: -306.097
Base-Backbone interact. energy: 0.064
local terms energy: -308.422972
where:
bonds (distance) C4'-P energy: -61.786
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -63.380
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: -83.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -901.791498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.791498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.791498 (E_RNA)
where:
Base-Base interactions energy: -605.864
where: short stacking energy: -262.260
Base-Backbone interact. energy: 0.129
local terms energy: -296.055814
where:
bonds (distance) C4'-P energy: -49.450
bonds (distance) P-C4' energy: -63.582
flat angles C4'-P-C4' energy: -69.044
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -78.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -927.228093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.228093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.228093 (E_RNA)
where:
Base-Base interactions energy: -645.747
where: short stacking energy: -261.711
Base-Backbone interact. energy: -2.316
local terms energy: -279.165135
where:
bonds (distance) C4'-P energy: -58.604
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -52.583
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -72.298
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: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -717.773971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.773971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.773971 (E_RNA)
where:
Base-Base interactions energy: -475.383
where: short stacking energy: -223.561
Base-Backbone interact. energy: -0.825
local terms energy: -241.565126
where:
bonds (distance) C4'-P energy: -47.095
bonds (distance) P-C4' energy: -49.875
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -32.789
tors. eta vs tors. theta energy: -58.780
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: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -742.260878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.260878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.260878 (E_RNA)
where:
Base-Base interactions energy: -493.353
where: short stacking energy: -216.519
Base-Backbone interact. energy: 2.821
local terms energy: -251.729330
where:
bonds (distance) C4'-P energy: -45.471
bonds (distance) P-C4' energy: -56.848
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -47.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -568.334182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.334182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.334182 (E_RNA)
where:
Base-Base interactions energy: -367.465
where: short stacking energy: -164.247
Base-Backbone interact. energy: 0.643
local terms energy: -201.512545
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -51.921
flat angles C4'-P-C4' energy: -37.576
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -35.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -503.698683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.698683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.698683 (E_RNA)
where:
Base-Base interactions energy: -304.157
where: short stacking energy: -152.609
Base-Backbone interact. energy: -1.817
local terms energy: -197.724625
where:
bonds (distance) C4'-P energy: -47.304
bonds (distance) P-C4' energy: -46.419
flat angles C4'-P-C4' energy: -44.666
flat angles P-C4'-P energy: -31.615
tors. eta vs tors. theta energy: -27.721
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: 1
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1130.943567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.943567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.943567 (E_RNA)
where:
Base-Base interactions energy: -810.997
where: short stacking energy: -335.322
Base-Backbone interact. energy: -1.721
local terms energy: -318.225035
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -62.707
flat angles P-C4'-P energy: -46.862
tors. eta vs tors. theta energy: -92.487
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: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1058.848539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.848539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.848539 (E_RNA)
where:
Base-Base interactions energy: -731.283
where: short stacking energy: -326.581
Base-Backbone interact. energy: -2.515
local terms energy: -325.050595
where:
bonds (distance) C4'-P energy: -70.936
bonds (distance) P-C4' energy: -58.065
flat angles C4'-P-C4' energy: -64.833
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -92.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1074.521085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.521085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.521085 (E_RNA)
where:
Base-Base interactions energy: -746.126
where: short stacking energy: -325.500
Base-Backbone interact. energy: -1.615
local terms energy: -326.780379
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -59.892
flat angles C4'-P-C4' energy: -62.617
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -97.333
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: 2
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1000.109317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.109317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.109317 (E_RNA)
where:
Base-Base interactions energy: -706.007
where: short stacking energy: -304.785
Base-Backbone interact. energy: -1.221
local terms energy: -292.881499
where:
bonds (distance) C4'-P energy: -63.486
bonds (distance) P-C4' energy: -51.335
flat angles C4'-P-C4' energy: -60.920
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -77.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -896.085927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.085927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.085927 (E_RNA)
where:
Base-Base interactions energy: -594.296
where: short stacking energy: -274.001
Base-Backbone interact. energy: -0.325
local terms energy: -301.464546
where:
bonds (distance) C4'-P energy: -64.820
bonds (distance) P-C4' energy: -51.266
flat angles C4'-P-C4' energy: -54.686
flat angles P-C4'-P energy: -44.342
tors. eta vs tors. theta energy: -86.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -972.184650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.184650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.184650 (E_RNA)
where:
Base-Base interactions energy: -649.440
where: short stacking energy: -282.807
Base-Backbone interact. energy: -1.218
local terms energy: -321.526694
where:
bonds (distance) C4'-P energy: -62.877
bonds (distance) P-C4' energy: -62.709
flat angles C4'-P-C4' energy: -66.906
flat angles P-C4'-P energy: -41.475
tors. eta vs tors. theta energy: -87.560
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -704.178054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.178054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.178054 (E_RNA)
where:
Base-Base interactions energy: -473.096
where: short stacking energy: -207.351
Base-Backbone interact. energy: 1.315
local terms energy: -232.396932
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -56.504
flat angles C4'-P-C4' energy: -54.847
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -49.869
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: 10
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -749.858463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.858463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.858463 (E_RNA)
where:
Base-Base interactions energy: -496.988
where: short stacking energy: -225.897
Base-Backbone interact. energy: -0.250
local terms energy: -252.620007
where:
bonds (distance) C4'-P energy: -59.403
bonds (distance) P-C4' energy: -46.789
flat angles C4'-P-C4' energy: -49.932
flat angles P-C4'-P energy: -43.969
tors. eta vs tors. theta energy: -52.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -631.599193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.599193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.599193 (E_RNA)
where:
Base-Base interactions energy: -414.914
where: short stacking energy: -178.213
Base-Backbone interact. energy: -2.915
local terms energy: -213.770428
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -58.023
flat angles C4'-P-C4' energy: -52.692
flat angles P-C4'-P energy: -25.546
tors. eta vs tors. theta energy: -27.132
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: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -476.155812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.155812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.155812 (E_RNA)
where:
Base-Base interactions energy: -280.459
where: short stacking energy: -146.284
Base-Backbone interact. energy: 2.643
local terms energy: -198.340502
where:
bonds (distance) C4'-P energy: -43.791
bonds (distance) P-C4' energy: -53.245
flat angles C4'-P-C4' energy: -53.414
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1132.900017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.900017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.900017 (E_RNA)
where:
Base-Base interactions energy: -793.864
where: short stacking energy: -340.567
Base-Backbone interact. energy: 0.579
local terms energy: -339.614307
where:
bonds (distance) C4'-P energy: -60.854
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -66.879
flat angles P-C4'-P energy: -46.289
tors. eta vs tors. theta energy: -102.429
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: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1062.797224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.797224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.797224 (E_RNA)
where:
Base-Base interactions energy: -740.915
where: short stacking energy: -321.228
Base-Backbone interact. energy: -1.919
local terms energy: -319.962804
where:
bonds (distance) C4'-P energy: -59.039
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -65.724
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -92.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1074.628894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.628894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.628894 (E_RNA)
where:
Base-Base interactions energy: -744.388
where: short stacking energy: -327.015
Base-Backbone interact. energy: -0.851
local terms energy: -329.390054
where:
bonds (distance) C4'-P energy: -60.736
bonds (distance) P-C4' energy: -60.068
flat angles C4'-P-C4' energy: -70.341
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -95.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -993.954270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.954270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.954270 (E_RNA)
where:
Base-Base interactions energy: -686.233
where: short stacking energy: -288.321
Base-Backbone interact. energy: -1.581
local terms energy: -306.141100
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -57.067
flat angles C4'-P-C4' energy: -67.721
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -81.591
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: 7
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -934.943417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.943417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.943417 (E_RNA)
where:
Base-Base interactions energy: -650.821
where: short stacking energy: -292.989
Base-Backbone interact. energy: -0.955
local terms energy: -283.167210
where:
bonds (distance) C4'-P energy: -53.171
bonds (distance) P-C4' energy: -48.409
flat angles C4'-P-C4' energy: -65.927
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -75.873
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: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -876.436596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.436596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.436596 (E_RNA)
where:
Base-Base interactions energy: -603.596
where: short stacking energy: -271.918
Base-Backbone interact. energy: -0.957
local terms energy: -271.883094
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -58.786
flat angles P-C4'-P energy: -32.080
tors. eta vs tors. theta energy: -72.433
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: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -772.287665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.287665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.287665 (E_RNA)
where:
Base-Base interactions energy: -494.617
where: short stacking energy: -216.957
Base-Backbone interact. energy: 0.223
local terms energy: -277.893978
where:
bonds (distance) C4'-P energy: -59.772
bonds (distance) P-C4' energy: -60.958
flat angles C4'-P-C4' energy: -64.780
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -54.369
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: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -669.595715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.595715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.595715 (E_RNA)
where:
Base-Base interactions energy: -424.455
where: short stacking energy: -193.878
Base-Backbone interact. energy: -1.608
local terms energy: -243.532005
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -48.262
flat angles C4'-P-C4' energy: -57.778
flat angles P-C4'-P energy: -41.806
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: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -620.681471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.681471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.681471 (E_RNA)
where:
Base-Base interactions energy: -425.370
where: short stacking energy: -203.526
Base-Backbone interact. energy: 1.232
local terms energy: -196.542924
where:
bonds (distance) C4'-P energy: -37.497
bonds (distance) P-C4' energy: -45.209
flat angles C4'-P-C4' energy: -55.032
flat angles P-C4'-P energy: -22.091
tors. eta vs tors. theta energy: -36.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -417.991222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.991222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.991222 (E_RNA)
where:
Base-Base interactions energy: -261.515
where: short stacking energy: -138.255
Base-Backbone interact. energy: 3.208
local terms energy: -159.684639
where:
bonds (distance) C4'-P energy: -34.480
bonds (distance) P-C4' energy: -52.758
flat angles C4'-P-C4' energy: -43.979
flat angles P-C4'-P energy: -19.517
tors. eta vs tors. theta energy: -8.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1148.515789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.515789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.515789 (E_RNA)
where:
Base-Base interactions energy: -799.335
where: short stacking energy: -355.883
Base-Backbone interact. energy: -1.763
local terms energy: -347.417904
where:
bonds (distance) C4'-P energy: -69.281
bonds (distance) P-C4' energy: -64.992
flat angles C4'-P-C4' energy: -67.446
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -102.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1073.194030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.194030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.194030 (E_RNA)
where:
Base-Base interactions energy: -751.669
where: short stacking energy: -333.786
Base-Backbone interact. energy: 0.585
local terms energy: -322.109995
where:
bonds (distance) C4'-P energy: -61.060
bonds (distance) P-C4' energy: -61.970
flat angles C4'-P-C4' energy: -67.557
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -86.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1065.142095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.142095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.142095 (E_RNA)
where:
Base-Base interactions energy: -737.219
where: short stacking energy: -312.213
Base-Backbone interact. energy: -1.808
local terms energy: -326.114854
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -62.896
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -43.667
tors. eta vs tors. theta energy: -94.828
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: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -982.534395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.534395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.534395 (E_RNA)
where:
Base-Base interactions energy: -680.789
where: short stacking energy: -292.050
Base-Backbone interact. energy: -0.579
local terms energy: -301.167092
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -58.855
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -83.867
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: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -946.900942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.900942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.900942 (E_RNA)
where:
Base-Base interactions energy: -661.434
where: short stacking energy: -266.571
Base-Backbone interact. energy: -2.440
local terms energy: -283.026970
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -51.747
flat angles C4'-P-C4' energy: -52.321
flat angles P-C4'-P energy: -46.990
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: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -893.345282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.345282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.345282 (E_RNA)
where:
Base-Base interactions energy: -591.698
where: short stacking energy: -269.581
Base-Backbone interact. energy: -0.254
local terms energy: -301.393409
where:
bonds (distance) C4'-P energy: -51.894
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -67.774
flat angles P-C4'-P energy: -47.189
tors. eta vs tors. theta energy: -75.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -736.161361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.161361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.161361 (E_RNA)
where:
Base-Base interactions energy: -477.996
where: short stacking energy: -213.952
Base-Backbone interact. energy: -0.147
local terms energy: -258.018513
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -46.358
flat angles C4'-P-C4' energy: -66.388
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -48.369
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: 8
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -647.498610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.498610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.498610 (E_RNA)
where:
Base-Base interactions energy: -423.446
where: short stacking energy: -191.698
Base-Backbone interact. energy: 1.836
local terms energy: -225.889090
where:
bonds (distance) C4'-P energy: -41.301
bonds (distance) P-C4' energy: -60.198
flat angles C4'-P-C4' energy: -45.751
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -46.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -636.605623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.605623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.605623 (E_RNA)
where:
Base-Base interactions energy: -414.037
where: short stacking energy: -192.891
Base-Backbone interact. energy: -1.432
local terms energy: -221.136953
where:
bonds (distance) C4'-P energy: -51.810
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -44.686
flat angles P-C4'-P energy: -27.641
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -430.756744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.756744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.756744 (E_RNA)
where:
Base-Base interactions energy: -254.502
where: short stacking energy: -109.788
Base-Backbone interact. energy: 0.425
local terms energy: -176.679939
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -44.818
flat angles C4'-P-C4' energy: -50.324
flat angles P-C4'-P energy: -26.298
tors. eta vs tors. theta energy: -7.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1140.791867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.791867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.791867 (E_RNA)
where:
Base-Base interactions energy: -814.476
where: short stacking energy: -357.840
Base-Backbone interact. energy: -1.518
local terms energy: -324.797874
where:
bonds (distance) C4'-P energy: -53.876
bonds (distance) P-C4' energy: -67.914
flat angles C4'-P-C4' energy: -71.052
flat angles P-C4'-P energy: -41.223
tors. eta vs tors. theta energy: -90.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1063.805409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.805409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.805409 (E_RNA)
where:
Base-Base interactions energy: -743.307
where: short stacking energy: -316.317
Base-Backbone interact. energy: -1.601
local terms energy: -318.897693
where:
bonds (distance) C4'-P energy: -68.980
bonds (distance) P-C4' energy: -57.788
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -88.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1043.807516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.807516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.807516 (E_RNA)
where:
Base-Base interactions energy: -732.925
where: short stacking energy: -316.959
Base-Backbone interact. energy: -0.889
local terms energy: -309.993177
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -63.051
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -97.143
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: 2
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1004.269051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.269051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.269051 (E_RNA)
where:
Base-Base interactions energy: -701.919
where: short stacking energy: -305.564
Base-Backbone interact. energy: -1.536
local terms energy: -300.814029
where:
bonds (distance) C4'-P energy: -48.722
bonds (distance) P-C4' energy: -59.781
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -82.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -902.819544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.819544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.819544 (E_RNA)
where:
Base-Base interactions energy: -610.377
where: short stacking energy: -274.430
Base-Backbone interact. energy: -0.429
local terms energy: -292.013464
where:
bonds (distance) C4'-P energy: -55.047
bonds (distance) P-C4' energy: -57.946
flat angles C4'-P-C4' energy: -62.788
flat angles P-C4'-P energy: -43.098
tors. eta vs tors. theta energy: -73.135
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: 6, replica: 7
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -930.481313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.481313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.481313 (E_RNA)
where:
Base-Base interactions energy: -630.903
where: short stacking energy: -262.774
Base-Backbone interact. energy: -0.784
local terms energy: -298.794221
where:
bonds (distance) C4'-P energy: -58.692
bonds (distance) P-C4' energy: -53.253
flat angles C4'-P-C4' energy: -64.672
flat angles P-C4'-P energy: -48.892
tors. eta vs tors. theta energy: -73.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -787.241112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.241112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.241112 (E_RNA)
where:
Base-Base interactions energy: -520.589
where: short stacking energy: -238.309
Base-Backbone interact. energy: -0.222
local terms energy: -266.430740
where:
bonds (distance) C4'-P energy: -49.360
bonds (distance) P-C4' energy: -58.007
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -32.178
tors. eta vs tors. theta energy: -66.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -664.850587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.850587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.850587 (E_RNA)
where:
Base-Base interactions energy: -434.799
where: short stacking energy: -214.886
Base-Backbone interact. energy: -0.172
local terms energy: -229.880138
where:
bonds (distance) C4'-P energy: -42.977
bonds (distance) P-C4' energy: -58.848
flat angles C4'-P-C4' energy: -54.790
flat angles P-C4'-P energy: -28.345
tors. eta vs tors. theta energy: -44.920
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -657.576794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.576794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.576794 (E_RNA)
where:
Base-Base interactions energy: -414.093
where: short stacking energy: -193.433
Base-Backbone interact. energy: -3.303
local terms energy: -240.180740
where:
bonds (distance) C4'-P energy: -45.515
bonds (distance) P-C4' energy: -44.976
flat angles C4'-P-C4' energy: -69.582
flat angles P-C4'-P energy: -34.672
tors. eta vs tors. theta energy: -45.436
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: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -461.930992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.930992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.930992 (E_RNA)
where:
Base-Base interactions energy: -259.511
where: short stacking energy: -119.753
Base-Backbone interact. energy: 2.318
local terms energy: -204.738206
where:
bonds (distance) C4'-P energy: -46.622
bonds (distance) P-C4' energy: -56.668
flat angles C4'-P-C4' energy: -48.259
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -16.290
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: 1
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1132.947326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.947326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.947326 (E_RNA)
where:
Base-Base interactions energy: -807.471
where: short stacking energy: -332.440
Base-Backbone interact. energy: -1.967
local terms energy: -323.508625
where:
bonds (distance) C4'-P energy: -59.837
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -72.376
flat angles P-C4'-P energy: -38.114
tors. eta vs tors. theta energy: -89.969
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: 3
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1068.572243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.572243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.572243 (E_RNA)
where:
Base-Base interactions energy: -747.836
where: short stacking energy: -320.759
Base-Backbone interact. energy: -1.828
local terms energy: -318.907531
where:
bonds (distance) C4'-P energy: -60.867
bonds (distance) P-C4' energy: -52.170
flat angles C4'-P-C4' energy: -75.478
flat angles P-C4'-P energy: -44.816
tors. eta vs tors. theta energy: -85.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1038.027039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.027039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.027039 (E_RNA)
where:
Base-Base interactions energy: -724.288
where: short stacking energy: -319.601
Base-Backbone interact. energy: 1.026
local terms energy: -314.765442
where:
bonds (distance) C4'-P energy: -45.107
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -52.710
tors. eta vs tors. theta energy: -93.388
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: 9
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -947.720176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.720176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.720176 (E_RNA)
where:
Base-Base interactions energy: -653.466
where: short stacking energy: -287.925
Base-Backbone interact. energy: -0.008
local terms energy: -294.245842
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -61.403
flat angles C4'-P-C4' energy: -67.760
flat angles P-C4'-P energy: -35.538
tors. eta vs tors. theta energy: -76.154
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: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -996.704008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.704008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.704008 (E_RNA)
where:
Base-Base interactions energy: -704.119
where: short stacking energy: -299.126
Base-Backbone interact. energy: -1.968
local terms energy: -290.616865
where:
bonds (distance) C4'-P energy: -54.108
bonds (distance) P-C4' energy: -49.638
flat angles C4'-P-C4' energy: -65.011
flat angles P-C4'-P energy: -43.921
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: 6, replica: 7
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -918.396958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.396958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.396958 (E_RNA)
where:
Base-Base interactions energy: -625.178
where: short stacking energy: -260.343
Base-Backbone interact. energy: -1.683
local terms energy: -291.535339
where:
bonds (distance) C4'-P energy: -55.612
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -57.516
flat angles P-C4'-P energy: -44.124
tors. eta vs tors. theta energy: -68.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -766.136880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.136880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.136880 (E_RNA)
where:
Base-Base interactions energy: -509.207
where: short stacking energy: -224.942
Base-Backbone interact. energy: -1.224
local terms energy: -255.705505
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -56.722
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: -56.698
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: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -751.805943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.805943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.805943 (E_RNA)
where:
Base-Base interactions energy: -513.691
where: short stacking energy: -239.802
Base-Backbone interact. energy: -2.625
local terms energy: -235.489831
where:
bonds (distance) C4'-P energy: -42.815
bonds (distance) P-C4' energy: -50.235
flat angles C4'-P-C4' energy: -43.013
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -65.755
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: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -636.850450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.850450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.850450 (E_RNA)
where:
Base-Base interactions energy: -409.413
where: short stacking energy: -199.701
Base-Backbone interact. energy: 0.616
local terms energy: -228.053712
where:
bonds (distance) C4'-P energy: -54.694
bonds (distance) P-C4' energy: -56.778
flat angles C4'-P-C4' energy: -45.862
flat angles P-C4'-P energy: -27.146
tors. eta vs tors. theta energy: -43.572
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: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -480.148603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.148603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.148603 (E_RNA)
where:
Base-Base interactions energy: -283.895
where: short stacking energy: -142.632
Base-Backbone interact. energy: -0.112
local terms energy: -196.141820
where:
bonds (distance) C4'-P energy: -46.417
bonds (distance) P-C4' energy: -42.105
flat angles C4'-P-C4' energy: -57.904
flat angles P-C4'-P energy: -33.321
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1159.795541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.795541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.795541 (E_RNA)
where:
Base-Base interactions energy: -825.123
where: short stacking energy: -355.298
Base-Backbone interact. energy: 0.415
local terms energy: -335.088392
where:
bonds (distance) C4'-P energy: -66.131
bonds (distance) P-C4' energy: -64.926
flat angles C4'-P-C4' energy: -63.053
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -97.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1065.796243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.796243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.796243 (E_RNA)
where:
Base-Base interactions energy: -753.226
where: short stacking energy: -325.713
Base-Backbone interact. energy: -0.703
local terms energy: -311.868120
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -57.440
flat angles C4'-P-C4' energy: -71.055
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -90.459
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: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1043.719834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.719834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.719834 (E_RNA)
where:
Base-Base interactions energy: -728.278
where: short stacking energy: -309.872
Base-Backbone interact. energy: 1.987
local terms energy: -317.429214
where:
bonds (distance) C4'-P energy: -58.835
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -60.811
flat angles P-C4'-P energy: -43.747
tors. eta vs tors. theta energy: -91.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -968.444085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.444085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.444085 (E_RNA)
where:
Base-Base interactions energy: -661.266
where: short stacking energy: -287.612
Base-Backbone interact. energy: -1.708
local terms energy: -305.469861
where:
bonds (distance) C4'-P energy: -62.782
bonds (distance) P-C4' energy: -59.155
flat angles C4'-P-C4' energy: -61.114
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -84.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -991.345771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.345771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.345771 (E_RNA)
where:
Base-Base interactions energy: -696.997
where: short stacking energy: -279.104
Base-Backbone interact. energy: 0.949
local terms energy: -295.298510
where:
bonds (distance) C4'-P energy: -60.840
bonds (distance) P-C4' energy: -56.984
flat angles C4'-P-C4' energy: -62.495
flat angles P-C4'-P energy: -43.210
tors. eta vs tors. theta energy: -71.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -874.782789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.782789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.782789 (E_RNA)
where:
Base-Base interactions energy: -603.687
where: short stacking energy: -258.748
Base-Backbone interact. energy: 0.873
local terms energy: -271.968415
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -42.817
flat angles C4'-P-C4' energy: -56.938
flat angles P-C4'-P energy: -46.593
tors. eta vs tors. theta energy: -68.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -806.560782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.560782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.560782 (E_RNA)
where:
Base-Base interactions energy: -545.203
where: short stacking energy: -237.437
Base-Backbone interact. energy: -2.401
local terms energy: -258.957574
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -50.882
flat angles C4'-P-C4' energy: -55.719
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: -59.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -688.044879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.044879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.044879 (E_RNA)
where:
Base-Base interactions energy: -453.246
where: short stacking energy: -202.374
Base-Backbone interact. energy: -1.672
local terms energy: -233.126777
where:
bonds (distance) C4'-P energy: -49.414
bonds (distance) P-C4' energy: -54.067
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -597.079330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.079330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.079330 (E_RNA)
where:
Base-Base interactions energy: -389.458
where: short stacking energy: -181.263
Base-Backbone interact. energy: -0.185
local terms energy: -207.435809
where:
bonds (distance) C4'-P energy: -49.321
bonds (distance) P-C4' energy: -55.417
flat angles C4'-P-C4' energy: -51.794
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -30.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -475.866964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.866964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.866964 (E_RNA)
where:
Base-Base interactions energy: -274.546
where: short stacking energy: -128.152
Base-Backbone interact. energy: -1.008
local terms energy: -200.312897
where:
bonds (distance) C4'-P energy: -48.386
bonds (distance) P-C4' energy: -51.900
flat angles C4'-P-C4' energy: -45.463
flat angles P-C4'-P energy: -33.114
tors. eta vs tors. theta energy: -21.450
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: 1
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1152.885936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.885936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.885936 (E_RNA)
where:
Base-Base interactions energy: -820.470
where: short stacking energy: -339.171
Base-Backbone interact. energy: -0.579
local terms energy: -331.836882
where:
bonds (distance) C4'-P energy: -64.196
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -70.977
flat angles P-C4'-P energy: -45.257
tors. eta vs tors. theta energy: -96.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1088.957491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.957491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.957491 (E_RNA)
where:
Base-Base interactions energy: -757.263
where: short stacking energy: -334.346
Base-Backbone interact. energy: -0.380
local terms energy: -331.314853
where:
bonds (distance) C4'-P energy: -56.663
bonds (distance) P-C4' energy: -64.209
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -102.067
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: 183
Temperature: 1.000000
Total energy: -1044.621701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.621701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.621701 (E_RNA)
where:
Base-Base interactions energy: -734.424
where: short stacking energy: -307.346
Base-Backbone interact. energy: -2.319
local terms energy: -307.879001
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -52.146
flat angles C4'-P-C4' energy: -66.319
flat angles P-C4'-P energy: -48.247
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -986.143593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.143593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.143593 (E_RNA)
where:
Base-Base interactions energy: -669.978
where: short stacking energy: -274.704
Base-Backbone interact. energy: -0.785
local terms energy: -315.380028
where:
bonds (distance) C4'-P energy: -66.195
bonds (distance) P-C4' energy: -66.327
flat angles C4'-P-C4' energy: -64.512
flat angles P-C4'-P energy: -42.780
tors. eta vs tors. theta energy: -75.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -934.580768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.580768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.580768 (E_RNA)
where:
Base-Base interactions energy: -641.358
where: short stacking energy: -287.178
Base-Backbone interact. energy: -0.004
local terms energy: -293.218569
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -60.792
flat angles C4'-P-C4' energy: -61.977
flat angles P-C4'-P energy: -36.433
tors. eta vs tors. theta energy: -76.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -893.881271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.881271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.881271 (E_RNA)
where:
Base-Base interactions energy: -617.016
where: short stacking energy: -278.837
Base-Backbone interact. energy: -2.641
local terms energy: -274.224959
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: -66.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -765.122974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.122974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.122974 (E_RNA)
where:
Base-Base interactions energy: -529.852
where: short stacking energy: -228.604
Base-Backbone interact. energy: 0.921
local terms energy: -236.192046
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -51.819
flat angles P-C4'-P energy: -29.059
tors. eta vs tors. theta energy: -44.240
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: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -633.006894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.006894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.006894 (E_RNA)
where:
Base-Base interactions energy: -400.100
where: short stacking energy: -178.542
Base-Backbone interact. energy: -0.623
local terms energy: -232.283827
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -53.466
flat angles C4'-P-C4' energy: -39.708
flat angles P-C4'-P energy: -38.577
tors. eta vs tors. theta energy: -51.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -612.151129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.151129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.151129 (E_RNA)
where:
Base-Base interactions energy: -415.771
where: short stacking energy: -179.711
Base-Backbone interact. energy: 2.548
local terms energy: -198.927656
where:
bonds (distance) C4'-P energy: -34.236
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -55.019
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -35.367
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: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -459.368409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.368409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.368409 (E_RNA)
where:
Base-Base interactions energy: -249.156
where: short stacking energy: -116.293
Base-Backbone interact. energy: 3.000
local terms energy: -213.211829
where:
bonds (distance) C4'-P energy: -56.952
bonds (distance) P-C4' energy: -55.007
flat angles C4'-P-C4' energy: -50.031
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1149.528834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.528834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.528834 (E_RNA)
where:
Base-Base interactions energy: -816.642
where: short stacking energy: -342.809
Base-Backbone interact. energy: -1.831
local terms energy: -331.055079
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -58.910
flat angles C4'-P-C4' energy: -69.251
flat angles P-C4'-P energy: -40.192
tors. eta vs tors. theta energy: -101.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1076.198618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.198618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.198618 (E_RNA)
where:
Base-Base interactions energy: -749.665
where: short stacking energy: -311.551
Base-Backbone interact. energy: -1.459
local terms energy: -325.074260
where:
bonds (distance) C4'-P energy: -57.346
bonds (distance) P-C4' energy: -57.806
flat angles C4'-P-C4' energy: -68.924
flat angles P-C4'-P energy: -47.215
tors. eta vs tors. theta energy: -93.783
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: 184
Temperature: 1.000000
Total energy: -1069.507732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.507732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.507732 (E_RNA)
where:
Base-Base interactions energy: -763.371
where: short stacking energy: -321.522
Base-Backbone interact. energy: -1.064
local terms energy: -305.073029
where:
bonds (distance) C4'-P energy: -56.072
bonds (distance) P-C4' energy: -52.049
flat angles C4'-P-C4' energy: -70.165
flat angles P-C4'-P energy: -36.534
tors. eta vs tors. theta energy: -90.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -999.152542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.152542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.152542 (E_RNA)
where:
Base-Base interactions energy: -693.315
where: short stacking energy: -310.576
Base-Backbone interact. energy: -0.836
local terms energy: -305.001315
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -57.081
flat angles C4'-P-C4' energy: -68.176
flat angles P-C4'-P energy: -49.586
tors. eta vs tors. theta energy: -77.684
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: 7
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -895.633892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.633892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.633892 (E_RNA)
where:
Base-Base interactions energy: -608.064
where: short stacking energy: -255.241
Base-Backbone interact. energy: -1.367
local terms energy: -286.202519
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -56.369
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -38.935
tors. eta vs tors. theta energy: -73.938
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: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -867.751080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.751080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.751080 (E_RNA)
where:
Base-Base interactions energy: -582.186
where: short stacking energy: -271.525
Base-Backbone interact. energy: -0.669
local terms energy: -284.896266
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -66.166
flat angles C4'-P-C4' energy: -57.535
flat angles P-C4'-P energy: -37.807
tors. eta vs tors. theta energy: -77.296
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: 184
Temperature: 1.200000
Total energy: -748.706190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.706190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.706190 (E_RNA)
where:
Base-Base interactions energy: -511.583
where: short stacking energy: -239.816
Base-Backbone interact. energy: -2.269
local terms energy: -234.853707
where:
bonds (distance) C4'-P energy: -43.231
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -50.298
flat angles P-C4'-P energy: -31.757
tors. eta vs tors. theta energy: -51.380
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: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -635.157585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.157585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.157585 (E_RNA)
where:
Base-Base interactions energy: -406.141
where: short stacking energy: -186.893
Base-Backbone interact. energy: -1.039
local terms energy: -227.977851
where:
bonds (distance) C4'-P energy: -35.814
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -61.614
flat angles P-C4'-P energy: -34.968
tors. eta vs tors. theta energy: -42.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -581.487929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.487929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.487929 (E_RNA)
where:
Base-Base interactions energy: -368.445
where: short stacking energy: -170.039
Base-Backbone interact. energy: 0.631
local terms energy: -213.674511
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -50.899
flat angles C4'-P-C4' energy: -57.592
flat angles P-C4'-P energy: -22.533
tors. eta vs tors. theta energy: -33.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -503.453933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.453933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.453933 (E_RNA)
where:
Base-Base interactions energy: -303.183
where: short stacking energy: -149.310
Base-Backbone interact. energy: -1.283
local terms energy: -198.988089
where:
bonds (distance) C4'-P energy: -49.191
bonds (distance) P-C4' energy: -43.034
flat angles C4'-P-C4' energy: -53.327
flat angles P-C4'-P energy: -28.687
tors. eta vs tors. theta energy: -24.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1162.981219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.981219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.981219 (E_RNA)
where:
Base-Base interactions energy: -822.647
where: short stacking energy: -346.138
Base-Backbone interact. energy: -0.251
local terms energy: -340.082485
where:
bonds (distance) C4'-P energy: -65.755
bonds (distance) P-C4' energy: -59.761
flat angles C4'-P-C4' energy: -69.763
flat angles P-C4'-P energy: -44.677
tors. eta vs tors. theta energy: -100.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1084.011684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.011684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.011684 (E_RNA)
where:
Base-Base interactions energy: -765.576
where: short stacking energy: -332.582
Base-Backbone interact. energy: -1.733
local terms energy: -316.702449
where:
bonds (distance) C4'-P energy: -64.601
bonds (distance) P-C4' energy: -61.212
flat angles C4'-P-C4' energy: -57.175
flat angles P-C4'-P energy: -36.153
tors. eta vs tors. theta energy: -97.561
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: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1065.464923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.464923 (E_RNA)
where:
Base-Base interactions energy: -760.367
where: short stacking energy: -320.333
Base-Backbone interact. energy: -2.959
local terms energy: -302.138555
where:
bonds (distance) C4'-P energy: -52.586
bonds (distance) P-C4' energy: -56.475
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -40.181
tors. eta vs tors. theta energy: -89.602
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: 185
Temperature: 1.050000
Total energy: -1000.731084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.731084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.731084 (E_RNA)
where:
Base-Base interactions energy: -693.844
where: short stacking energy: -302.475
Base-Backbone interact. energy: -2.081
local terms energy: -304.806595
where:
bonds (distance) C4'-P energy: -62.495
bonds (distance) P-C4' energy: -60.051
flat angles C4'-P-C4' energy: -58.748
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -80.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -917.502861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.502861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.502861 (E_RNA)
where:
Base-Base interactions energy: -617.081
where: short stacking energy: -275.921
Base-Backbone interact. energy: -0.963
local terms energy: -299.458187
where:
bonds (distance) C4'-P energy: -59.756
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -48.812
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -87.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -877.454318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.454318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.454318 (E_RNA)
where:
Base-Base interactions energy: -596.474
where: short stacking energy: -267.683
Base-Backbone interact. energy: -1.203
local terms energy: -279.776882
where:
bonds (distance) C4'-P energy: -51.493
bonds (distance) P-C4' energy: -48.863
flat angles C4'-P-C4' energy: -63.424
flat angles P-C4'-P energy: -42.995
tors. eta vs tors. theta energy: -73.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -716.580679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.580679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.580679 (E_RNA)
where:
Base-Base interactions energy: -476.550
where: short stacking energy: -214.493
Base-Backbone interact. energy: -1.032
local terms energy: -238.998699
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -62.940
flat angles C4'-P-C4' energy: -48.978
flat angles P-C4'-P energy: -35.290
tors. eta vs tors. theta energy: -47.422
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: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -615.703532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.703532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.703532 (E_RNA)
where:
Base-Base interactions energy: -381.010
where: short stacking energy: -175.504
Base-Backbone interact. energy: 2.012
local terms energy: -236.705125
where:
bonds (distance) C4'-P energy: -52.945
bonds (distance) P-C4' energy: -56.813
flat angles C4'-P-C4' energy: -47.850
flat angles P-C4'-P energy: -36.487
tors. eta vs tors. theta energy: -42.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -567.341286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.341286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.341286 (E_RNA)
where:
Base-Base interactions energy: -354.153
where: short stacking energy: -180.715
Base-Backbone interact. energy: 0.682
local terms energy: -213.870326
where:
bonds (distance) C4'-P energy: -35.106
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -52.311
flat angles P-C4'-P energy: -34.280
tors. eta vs tors. theta energy: -36.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -512.169606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.169606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.169606 (E_RNA)
where:
Base-Base interactions energy: -313.537
where: short stacking energy: -140.967
Base-Backbone interact. energy: -0.218
local terms energy: -198.414985
where:
bonds (distance) C4'-P energy: -50.638
bonds (distance) P-C4' energy: -57.704
flat angles C4'-P-C4' energy: -40.698
flat angles P-C4'-P energy: -36.551
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1169.056002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.056002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.056002 (E_RNA)
where:
Base-Base interactions energy: -826.585
where: short stacking energy: -343.718
Base-Backbone interact. energy: -1.502
local terms energy: -340.969161
where:
bonds (distance) C4'-P energy: -57.913
bonds (distance) P-C4' energy: -67.655
flat angles C4'-P-C4' energy: -69.303
flat angles P-C4'-P energy: -47.602
tors. eta vs tors. theta energy: -98.496
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: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1091.360229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.360229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.360229 (E_RNA)
where:
Base-Base interactions energy: -766.237
where: short stacking energy: -334.095
Base-Backbone interact. energy: -0.202
local terms energy: -324.921111
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -63.513
flat angles C4'-P-C4' energy: -70.153
flat angles P-C4'-P energy: -35.981
tors. eta vs tors. theta energy: -95.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1070.088622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.088622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.088622 (E_RNA)
where:
Base-Base interactions energy: -758.192
where: short stacking energy: -328.447
Base-Backbone interact. energy: -1.253
local terms energy: -310.643903
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -64.001
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -31.223
tors. eta vs tors. theta energy: -90.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -991.980673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.980673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.980673 (E_RNA)
where:
Base-Base interactions energy: -690.427
where: short stacking energy: -288.557
Base-Backbone interact. energy: -1.035
local terms energy: -300.518646
where:
bonds (distance) C4'-P energy: -55.567
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -65.131
flat angles P-C4'-P energy: -41.436
tors. eta vs tors. theta energy: -81.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -902.258526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.258526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.258526 (E_RNA)
where:
Base-Base interactions energy: -629.704
where: short stacking energy: -277.701
Base-Backbone interact. energy: -0.417
local terms energy: -272.137572
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -60.384
flat angles P-C4'-P energy: -38.356
tors. eta vs tors. theta energy: -70.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -940.271907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.271907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.271907 (E_RNA)
where:
Base-Base interactions energy: -641.632
where: short stacking energy: -271.534
Base-Backbone interact. energy: -1.121
local terms energy: -297.519243
where:
bonds (distance) C4'-P energy: -54.705
bonds (distance) P-C4' energy: -63.527
flat angles C4'-P-C4' energy: -58.135
flat angles P-C4'-P energy: -48.273
tors. eta vs tors. theta energy: -72.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -769.590355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.590355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.590355 (E_RNA)
where:
Base-Base interactions energy: -503.210
where: short stacking energy: -223.374
Base-Backbone interact. energy: -2.202
local terms energy: -264.178307
where:
bonds (distance) C4'-P energy: -46.902
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -48.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -565.706167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.706167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.706167 (E_RNA)
where:
Base-Base interactions energy: -339.350
where: short stacking energy: -177.988
Base-Backbone interact. energy: -0.748
local terms energy: -225.608143
where:
bonds (distance) C4'-P energy: -35.111
bonds (distance) P-C4' energy: -65.980
flat angles C4'-P-C4' energy: -50.630
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -39.262
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: 4
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -535.376220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.376220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.376220 (E_RNA)
where:
Base-Base interactions energy: -339.332
where: short stacking energy: -164.318
Base-Backbone interact. energy: -0.860
local terms energy: -195.183838
where:
bonds (distance) C4'-P energy: -57.059
bonds (distance) P-C4' energy: -44.713
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -525.204910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.204910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.204910 (E_RNA)
where:
Base-Base interactions energy: -321.589
where: short stacking energy: -142.804
Base-Backbone interact. energy: 1.602
local terms energy: -205.217571
where:
bonds (distance) C4'-P energy: -61.049
bonds (distance) P-C4' energy: -62.603
flat angles C4'-P-C4' energy: -35.774
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: -17.481
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: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1159.025558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.025558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.025558 (E_RNA)
where:
Base-Base interactions energy: -824.707
where: short stacking energy: -343.334
Base-Backbone interact. energy: -2.257
local terms energy: -332.061655
where:
bonds (distance) C4'-P energy: -58.293
bonds (distance) P-C4' energy: -61.755
flat angles C4'-P-C4' energy: -73.720
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: -95.667
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: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1100.300789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.300789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.300789 (E_RNA)
where:
Base-Base interactions energy: -776.649
where: short stacking energy: -340.458
Base-Backbone interact. energy: -1.111
local terms energy: -322.540899
where:
bonds (distance) C4'-P energy: -62.922
bonds (distance) P-C4' energy: -55.921
flat angles C4'-P-C4' energy: -65.595
flat angles P-C4'-P energy: -43.287
tors. eta vs tors. theta energy: -94.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1031.423950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.423950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.423950 (E_RNA)
where:
Base-Base interactions energy: -707.387
where: short stacking energy: -289.753
Base-Backbone interact. energy: -1.307
local terms energy: -322.729322
where:
bonds (distance) C4'-P energy: -60.124
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -68.547
flat angles P-C4'-P energy: -50.238
tors. eta vs tors. theta energy: -80.754
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: 2
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1008.167616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.167616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.167616 (E_RNA)
where:
Base-Base interactions energy: -713.007
where: short stacking energy: -301.064
Base-Backbone interact. energy: -1.416
local terms energy: -293.744513
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -50.184
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -44.427
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: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -913.815127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.815127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.815127 (E_RNA)
where:
Base-Base interactions energy: -637.603
where: short stacking energy: -286.977
Base-Backbone interact. energy: -0.833
local terms energy: -275.378984
where:
bonds (distance) C4'-P energy: -48.243
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -64.353
flat angles P-C4'-P energy: -36.701
tors. eta vs tors. theta energy: -73.075
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: 7
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -906.533199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.533199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.533199 (E_RNA)
where:
Base-Base interactions energy: -632.519
where: short stacking energy: -282.339
Base-Backbone interact. energy: 1.436
local terms energy: -275.450557
where:
bonds (distance) C4'-P energy: -53.984
bonds (distance) P-C4' energy: -47.006
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -28.039
tors. eta vs tors. theta energy: -84.329
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: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -750.742599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.742599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.742599 (E_RNA)
where:
Base-Base interactions energy: -489.335
where: short stacking energy: -207.035
Base-Backbone interact. energy: -0.176
local terms energy: -261.231671
where:
bonds (distance) C4'-P energy: -53.197
bonds (distance) P-C4' energy: -58.777
flat angles C4'-P-C4' energy: -65.390
flat angles P-C4'-P energy: -34.697
tors. eta vs tors. theta energy: -49.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -614.014746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.014746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.014746 (E_RNA)
where:
Base-Base interactions energy: -380.974
where: short stacking energy: -170.834
Base-Backbone interact. energy: -0.606
local terms energy: -232.433928
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -55.072
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -40.834
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: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -547.071021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.071021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.071021 (E_RNA)
where:
Base-Base interactions energy: -339.804
where: short stacking energy: -153.390
Base-Backbone interact. energy: -1.430
local terms energy: -205.837829
where:
bonds (distance) C4'-P energy: -33.366
bonds (distance) P-C4' energy: -46.010
flat angles C4'-P-C4' energy: -53.053
flat angles P-C4'-P energy: -38.472
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -513.617766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.617766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.617766 (E_RNA)
where:
Base-Base interactions energy: -325.005
where: short stacking energy: -151.723
Base-Backbone interact. energy: -1.468
local terms energy: -187.145074
where:
bonds (distance) C4'-P energy: -44.288
bonds (distance) P-C4' energy: -46.157
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1170.319995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.319995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.319995 (E_RNA)
where:
Base-Base interactions energy: -835.123
where: short stacking energy: -350.145
Base-Backbone interact. energy: -1.126
local terms energy: -334.071065
where:
bonds (distance) C4'-P energy: -56.734
bonds (distance) P-C4' energy: -57.810
flat angles C4'-P-C4' energy: -74.412
flat angles P-C4'-P energy: -41.680
tors. eta vs tors. theta energy: -103.436
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: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1081.153849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.153849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.153849 (E_RNA)
where:
Base-Base interactions energy: -752.357
where: short stacking energy: -319.463
Base-Backbone interact. energy: -1.255
local terms energy: -327.541995
where:
bonds (distance) C4'-P energy: -62.525
bonds (distance) P-C4' energy: -44.735
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -51.423
tors. eta vs tors. theta energy: -94.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1021.049707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.049707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.049707 (E_RNA)
where:
Base-Base interactions energy: -728.279
where: short stacking energy: -309.644
Base-Backbone interact. energy: -1.270
local terms energy: -291.501494
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -53.072
flat angles C4'-P-C4' energy: -63.828
flat angles P-C4'-P energy: -43.366
tors. eta vs tors. theta energy: -81.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1025.013773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.013773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.013773 (E_RNA)
where:
Base-Base interactions energy: -721.187
where: short stacking energy: -314.996
Base-Backbone interact. energy: -2.066
local terms energy: -301.761077
where:
bonds (distance) C4'-P energy: -48.948
bonds (distance) P-C4' energy: -58.216
flat angles C4'-P-C4' energy: -65.864
flat angles P-C4'-P energy: -45.074
tors. eta vs tors. theta energy: -83.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -918.061493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.061493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.061493 (E_RNA)
where:
Base-Base interactions energy: -621.117
where: short stacking energy: -277.703
Base-Backbone interact. energy: -1.268
local terms energy: -295.675626
where:
bonds (distance) C4'-P energy: -53.692
bonds (distance) P-C4' energy: -69.259
flat angles C4'-P-C4' energy: -65.830
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -82.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -876.475413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.475413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.475413 (E_RNA)
where:
Base-Base interactions energy: -602.811
where: short stacking energy: -255.784
Base-Backbone interact. energy: -1.396
local terms energy: -272.268179
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -56.802
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: -66.566
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: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -755.054031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.054031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.054031 (E_RNA)
where:
Base-Base interactions energy: -486.459
where: short stacking energy: -230.980
Base-Backbone interact. energy: 0.059
local terms energy: -268.654482
where:
bonds (distance) C4'-P energy: -52.460
bonds (distance) P-C4' energy: -58.167
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -36.137
tors. eta vs tors. theta energy: -56.029
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: 8, replica: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -621.001108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.001108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.001108 (E_RNA)
where:
Base-Base interactions energy: -370.238
where: short stacking energy: -185.941
Base-Backbone interact. energy: -1.130
local terms energy: -249.632673
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -61.737
flat angles C4'-P-C4' energy: -52.324
flat angles P-C4'-P energy: -37.886
tors. eta vs tors. theta energy: -40.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -535.255951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.255951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.255951 (E_RNA)
where:
Base-Base interactions energy: -322.347
where: short stacking energy: -171.435
Base-Backbone interact. energy: -0.511
local terms energy: -212.398284
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -52.914
flat angles P-C4'-P energy: -28.794
tors. eta vs tors. theta energy: -31.243
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: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -462.479215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.479215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.479215 (E_RNA)
where:
Base-Base interactions energy: -283.243
where: short stacking energy: -137.934
Base-Backbone interact. energy: -0.596
local terms energy: -178.640366
where:
bonds (distance) C4'-P energy: -46.099
bonds (distance) P-C4' energy: -52.142
flat angles C4'-P-C4' energy: -50.212
flat angles P-C4'-P energy: -23.347
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1146.126944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.126944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.126944 (E_RNA)
where:
Base-Base interactions energy: -818.105
where: short stacking energy: -348.175
Base-Backbone interact. energy: -1.405
local terms energy: -326.616733
where:
bonds (distance) C4'-P energy: -61.490
bonds (distance) P-C4' energy: -50.634
flat angles C4'-P-C4' energy: -68.516
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -99.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1081.593756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.593756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.593756 (E_RNA)
where:
Base-Base interactions energy: -750.387
where: short stacking energy: -329.347
Base-Backbone interact. energy: -1.833
local terms energy: -329.373367
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -55.483
flat angles C4'-P-C4' energy: -68.003
flat angles P-C4'-P energy: -48.265
tors. eta vs tors. theta energy: -100.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1008.857459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.857459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.857459 (E_RNA)
where:
Base-Base interactions energy: -718.393
where: short stacking energy: -293.013
Base-Backbone interact. energy: -0.604
local terms energy: -289.860360
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -49.474
flat angles C4'-P-C4' energy: -66.181
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -72.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1021.857172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.857172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.857172 (E_RNA)
where:
Base-Base interactions energy: -710.609
where: short stacking energy: -306.131
Base-Backbone interact. energy: -1.478
local terms energy: -309.769935
where:
bonds (distance) C4'-P energy: -59.196
bonds (distance) P-C4' energy: -52.571
flat angles C4'-P-C4' energy: -69.148
flat angles P-C4'-P energy: -42.313
tors. eta vs tors. theta energy: -86.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -950.167475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.167475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.167475 (E_RNA)
where:
Base-Base interactions energy: -658.833
where: short stacking energy: -284.354
Base-Backbone interact. energy: -0.683
local terms energy: -290.651608
where:
bonds (distance) C4'-P energy: -57.002
bonds (distance) P-C4' energy: -62.036
flat angles C4'-P-C4' energy: -59.455
flat angles P-C4'-P energy: -31.811
tors. eta vs tors. theta energy: -80.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -888.456121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.456121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.456121 (E_RNA)
where:
Base-Base interactions energy: -609.485
where: short stacking energy: -266.774
Base-Backbone interact. energy: -1.432
local terms energy: -277.539161
where:
bonds (distance) C4'-P energy: -48.370
bonds (distance) P-C4' energy: -57.777
flat angles C4'-P-C4' energy: -58.073
flat angles P-C4'-P energy: -41.533
tors. eta vs tors. theta energy: -71.787
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: 189
Temperature: 1.200000
Total energy: -767.057534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.057534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.057534 (E_RNA)
where:
Base-Base interactions energy: -505.353
where: short stacking energy: -229.012
Base-Backbone interact. energy: -0.748
local terms energy: -260.955995
where:
bonds (distance) C4'-P energy: -58.659
bonds (distance) P-C4' energy: -62.396
flat angles C4'-P-C4' energy: -50.296
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -54.308
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: 5
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -663.585655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.585655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.585655 (E_RNA)
where:
Base-Base interactions energy: -434.645
where: short stacking energy: -199.828
Base-Backbone interact. energy: -1.052
local terms energy: -227.888924
where:
bonds (distance) C4'-P energy: -49.915
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -39.199
flat angles P-C4'-P energy: -43.009
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: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -545.287674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.287674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.287674 (E_RNA)
where:
Base-Base interactions energy: -322.771
where: short stacking energy: -158.027
Base-Backbone interact. energy: 1.258
local terms energy: -223.774510
where:
bonds (distance) C4'-P energy: -56.133
bonds (distance) P-C4' energy: -52.074
flat angles C4'-P-C4' energy: -49.622
flat angles P-C4'-P energy: -35.449
tors. eta vs tors. theta energy: -30.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -463.727462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.727462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.727462 (E_RNA)
where:
Base-Base interactions energy: -282.707
where: short stacking energy: -135.267
Base-Backbone interact. energy: -1.125
local terms energy: -179.895796
where:
bonds (distance) C4'-P energy: -42.212
bonds (distance) P-C4' energy: -49.199
flat angles C4'-P-C4' energy: -44.491
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -5.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1159.143270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.143270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.143270 (E_RNA)
where:
Base-Base interactions energy: -824.699
where: short stacking energy: -336.540
Base-Backbone interact. energy: -2.870
local terms energy: -331.574109
where:
bonds (distance) C4'-P energy: -57.977
bonds (distance) P-C4' energy: -64.738
flat angles C4'-P-C4' energy: -75.399
flat angles P-C4'-P energy: -35.946
tors. eta vs tors. theta energy: -97.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1092.715930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.715930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.715930 (E_RNA)
where:
Base-Base interactions energy: -761.613
where: short stacking energy: -338.214
Base-Backbone interact. energy: -1.119
local terms energy: -329.984658
where:
bonds (distance) C4'-P energy: -62.685
bonds (distance) P-C4' energy: -56.886
flat angles C4'-P-C4' energy: -69.975
flat angles P-C4'-P energy: -40.496
tors. eta vs tors. theta energy: -99.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1024.682184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.682184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.682184 (E_RNA)
where:
Base-Base interactions energy: -716.955
where: short stacking energy: -312.143
Base-Backbone interact. energy: -2.770
local terms energy: -304.956583
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -60.858
flat angles C4'-P-C4' energy: -64.048
flat angles P-C4'-P energy: -40.924
tors. eta vs tors. theta energy: -87.343
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: 2
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1001.990949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.990949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.990949 (E_RNA)
where:
Base-Base interactions energy: -706.414
where: short stacking energy: -304.264
Base-Backbone interact. energy: -1.073
local terms energy: -294.503497
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -54.412
flat angles C4'-P-C4' energy: -65.301
flat angles P-C4'-P energy: -41.948
tors. eta vs tors. theta energy: -80.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -918.866914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.866914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.866914 (E_RNA)
where:
Base-Base interactions energy: -637.331
where: short stacking energy: -258.831
Base-Backbone interact. energy: 0.513
local terms energy: -282.048997
where:
bonds (distance) C4'-P energy: -45.241
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -63.544
flat angles P-C4'-P energy: -41.691
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: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -886.303429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.303429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.303429 (E_RNA)
where:
Base-Base interactions energy: -619.863
where: short stacking energy: -270.068
Base-Backbone interact. energy: -0.462
local terms energy: -265.978472
where:
bonds (distance) C4'-P energy: -45.931
bonds (distance) P-C4' energy: -45.249
flat angles C4'-P-C4' energy: -60.030
flat angles P-C4'-P energy: -43.088
tors. eta vs tors. theta energy: -71.680
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: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -767.861400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.861400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.861400 (E_RNA)
where:
Base-Base interactions energy: -507.230
where: short stacking energy: -235.597
Base-Backbone interact. energy: -0.156
local terms energy: -260.475450
where:
bonds (distance) C4'-P energy: -43.980
bonds (distance) P-C4' energy: -52.178
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: -66.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -645.018080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.018080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.018080 (E_RNA)
where:
Base-Base interactions energy: -416.755
where: short stacking energy: -191.835
Base-Backbone interact. energy: -1.161
local terms energy: -227.102376
where:
bonds (distance) C4'-P energy: -47.326
bonds (distance) P-C4' energy: -59.585
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -35.871
tors. eta vs tors. theta energy: -35.834
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: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -561.443200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.443200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.443200 (E_RNA)
where:
Base-Base interactions energy: -374.582
where: short stacking energy: -174.320
Base-Backbone interact. energy: 2.733
local terms energy: -189.594020
where:
bonds (distance) C4'-P energy: -36.999
bonds (distance) P-C4' energy: -45.622
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -27.331
tors. eta vs tors. theta energy: -27.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -457.753496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.753496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.753496 (E_RNA)
where:
Base-Base interactions energy: -267.057
where: short stacking energy: -133.295
Base-Backbone interact. energy: 0.462
local terms energy: -191.158207
where:
bonds (distance) C4'-P energy: -58.036
bonds (distance) P-C4' energy: -43.663
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: -11.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1152.858365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.858365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.858365 (E_RNA)
where:
Base-Base interactions energy: -821.173
where: short stacking energy: -349.596
Base-Backbone interact. energy: -2.472
local terms energy: -329.213120
where:
bonds (distance) C4'-P energy: -63.428
bonds (distance) P-C4' energy: -61.270
flat angles C4'-P-C4' energy: -60.797
flat angles P-C4'-P energy: -45.831
tors. eta vs tors. theta energy: -97.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1095.182992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.182992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.182992 (E_RNA)
where:
Base-Base interactions energy: -780.420
where: short stacking energy: -334.504
Base-Backbone interact. energy: -1.814
local terms energy: -312.949198
where:
bonds (distance) C4'-P energy: -52.871
bonds (distance) P-C4' energy: -53.685
flat angles C4'-P-C4' energy: -62.796
flat angles P-C4'-P energy: -46.946
tors. eta vs tors. theta energy: -96.650
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: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1049.874122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.874122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.874122 (E_RNA)
where:
Base-Base interactions energy: -735.292
where: short stacking energy: -309.337
Base-Backbone interact. energy: -0.746
local terms energy: -313.835972
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -62.580
flat angles C4'-P-C4' energy: -69.712
flat angles P-C4'-P energy: -38.391
tors. eta vs tors. theta energy: -91.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1012.251211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.251211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.251211 (E_RNA)
where:
Base-Base interactions energy: -716.307
where: short stacking energy: -299.469
Base-Backbone interact. energy: -0.032
local terms energy: -295.911662
where:
bonds (distance) C4'-P energy: -58.434
bonds (distance) P-C4' energy: -56.225
flat angles C4'-P-C4' energy: -63.458
flat angles P-C4'-P energy: -34.959
tors. eta vs tors. theta energy: -82.836
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: 7
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -940.354337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.354337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.354337 (E_RNA)
where:
Base-Base interactions energy: -670.202
where: short stacking energy: -274.930
Base-Backbone interact. energy: -0.693
local terms energy: -269.459416
where:
bonds (distance) C4'-P energy: -61.497
bonds (distance) P-C4' energy: -45.207
flat angles C4'-P-C4' energy: -55.111
flat angles P-C4'-P energy: -32.995
tors. eta vs tors. theta energy: -74.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -797.594717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.594717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.594717 (E_RNA)
where:
Base-Base interactions energy: -508.709
where: short stacking energy: -233.421
Base-Backbone interact. energy: -1.127
local terms energy: -287.758661
where:
bonds (distance) C4'-P energy: -59.751
bonds (distance) P-C4' energy: -53.541
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -42.312
tors. eta vs tors. theta energy: -68.566
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: 7, replica: 9
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -851.183925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.183925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.183925 (E_RNA)
where:
Base-Base interactions energy: -581.773
where: short stacking energy: -247.580
Base-Backbone interact. energy: -1.603
local terms energy: -267.808857
where:
bonds (distance) C4'-P energy: -38.175
bonds (distance) P-C4' energy: -66.576
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -30.725
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -681.532259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.532259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.532259 (E_RNA)
where:
Base-Base interactions energy: -441.204
where: short stacking energy: -223.864
Base-Backbone interact. energy: -0.370
local terms energy: -239.958483
where:
bonds (distance) C4'-P energy: -63.500
bonds (distance) P-C4' energy: -51.874
flat angles C4'-P-C4' energy: -50.197
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -49.114
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: 191
Temperature: 1.300000
Total energy: -581.603181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.603181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.603181 (E_RNA)
where:
Base-Base interactions energy: -364.497
where: short stacking energy: -169.747
Base-Backbone interact. energy: -2.763
local terms energy: -214.343232
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -54.064
flat angles C4'-P-C4' energy: -53.299
flat angles P-C4'-P energy: -28.068
tors. eta vs tors. theta energy: -35.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -448.250510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.250510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.250510 (E_RNA)
where:
Base-Base interactions energy: -261.219
where: short stacking energy: -137.303
Base-Backbone interact. energy: 0.731
local terms energy: -187.762557
where:
bonds (distance) C4'-P energy: -38.426
bonds (distance) P-C4' energy: -55.931
flat angles C4'-P-C4' energy: -49.456
flat angles P-C4'-P energy: -31.488
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1153.478049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.478049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.478049 (E_RNA)
where:
Base-Base interactions energy: -822.216
where: short stacking energy: -344.042
Base-Backbone interact. energy: -0.338
local terms energy: -330.923626
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -60.919
flat angles C4'-P-C4' energy: -71.192
flat angles P-C4'-P energy: -45.508
tors. eta vs tors. theta energy: -96.469
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: 2, replica: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -1100.758866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.758866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.758866 (E_RNA)
where:
Base-Base interactions energy: -767.614
where: short stacking energy: -332.382
Base-Backbone interact. energy: -0.437
local terms energy: -332.707405
where:
bonds (distance) C4'-P energy: -59.591
bonds (distance) P-C4' energy: -66.337
flat angles C4'-P-C4' energy: -68.386
flat angles P-C4'-P energy: -47.161
tors. eta vs tors. theta energy: -91.233
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: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1018.987826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.987826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.987826 (E_RNA)
where:
Base-Base interactions energy: -706.753
where: short stacking energy: -295.478
Base-Backbone interact. energy: -0.715
local terms energy: -311.520221
where:
bonds (distance) C4'-P energy: -55.422
bonds (distance) P-C4' energy: -68.679
flat angles C4'-P-C4' energy: -66.500
flat angles P-C4'-P energy: -40.642
tors. eta vs tors. theta energy: -80.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1008.782493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.782493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.782493 (E_RNA)
where:
Base-Base interactions energy: -701.687
where: short stacking energy: -298.439
Base-Backbone interact. energy: 0.591
local terms energy: -307.686316
where:
bonds (distance) C4'-P energy: -51.268
bonds (distance) P-C4' energy: -62.118
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -42.577
tors. eta vs tors. theta energy: -88.924
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: 7
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -942.071145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.071145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.071145 (E_RNA)
where:
Base-Base interactions energy: -666.845
where: short stacking energy: -283.831
Base-Backbone interact. energy: 2.110
local terms energy: -277.336784
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -57.082
flat angles C4'-P-C4' energy: -57.968
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -74.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -847.138419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.138419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.138419 (E_RNA)
where:
Base-Base interactions energy: -570.544
where: short stacking energy: -257.761
Base-Backbone interact. energy: -2.246
local terms energy: -274.347786
where:
bonds (distance) C4'-P energy: -47.606
bonds (distance) P-C4' energy: -52.359
flat angles C4'-P-C4' energy: -65.489
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -69.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -838.192419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.192419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.192419 (E_RNA)
where:
Base-Base interactions energy: -567.619
where: short stacking energy: -250.002
Base-Backbone interact. energy: -0.877
local terms energy: -269.696544
where:
bonds (distance) C4'-P energy: -54.459
bonds (distance) P-C4' energy: -55.916
flat angles C4'-P-C4' energy: -54.989
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -63.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -701.332181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.332181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.332181 (E_RNA)
where:
Base-Base interactions energy: -454.059
where: short stacking energy: -202.332
Base-Backbone interact. energy: -1.395
local terms energy: -245.878022
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -58.860
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -55.418
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: 8
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -556.427635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.427635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.427635 (E_RNA)
where:
Base-Base interactions energy: -354.461
where: short stacking energy: -156.974
Base-Backbone interact. energy: 1.369
local terms energy: -203.335622
where:
bonds (distance) C4'-P energy: -56.081
bonds (distance) P-C4' energy: -40.627
flat angles C4'-P-C4' energy: -59.353
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -25.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -451.435922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.435922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.435922 (E_RNA)
where:
Base-Base interactions energy: -276.168
where: short stacking energy: -116.340
Base-Backbone interact. energy: 3.071
local terms energy: -178.338496
where:
bonds (distance) C4'-P energy: -59.755
bonds (distance) P-C4' energy: -35.770
flat angles C4'-P-C4' energy: -52.904
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1146.440878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.440878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.440878 (E_RNA)
where:
Base-Base interactions energy: -813.760
where: short stacking energy: -335.821
Base-Backbone interact. energy: -2.299
local terms energy: -330.382250
where:
bonds (distance) C4'-P energy: -55.281
bonds (distance) P-C4' energy: -56.232
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -101.792
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: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1078.744943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.744943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.744943 (E_RNA)
where:
Base-Base interactions energy: -768.598
where: short stacking energy: -331.817
Base-Backbone interact. energy: -0.958
local terms energy: -309.188830
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -54.123
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -35.239
tors. eta vs tors. theta energy: -90.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1035.995242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.995242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.995242 (E_RNA)
where:
Base-Base interactions energy: -739.117
where: short stacking energy: -297.650
Base-Backbone interact. energy: -0.311
local terms energy: -296.566744
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -66.484
flat angles P-C4'-P energy: -37.610
tors. eta vs tors. theta energy: -77.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1043.903929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.903929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.903929 (E_RNA)
where:
Base-Base interactions energy: -743.220
where: short stacking energy: -319.711
Base-Backbone interact. energy: -1.248
local terms energy: -299.435023
where:
bonds (distance) C4'-P energy: -47.233
bonds (distance) P-C4' energy: -54.427
flat angles C4'-P-C4' energy: -67.451
flat angles P-C4'-P energy: -47.659
tors. eta vs tors. theta energy: -82.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -929.465070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.465070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.465070 (E_RNA)
where:
Base-Base interactions energy: -633.326
where: short stacking energy: -277.584
Base-Backbone interact. energy: -1.139
local terms energy: -294.999349
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -59.481
flat angles C4'-P-C4' energy: -65.943
flat angles P-C4'-P energy: -38.318
tors. eta vs tors. theta energy: -74.091
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -839.183153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.183153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.183153 (E_RNA)
where:
Base-Base interactions energy: -563.526
where: short stacking energy: -231.071
Base-Backbone interact. energy: 0.277
local terms energy: -275.934204
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -62.836
flat angles C4'-P-C4' energy: -57.216
flat angles P-C4'-P energy: -43.814
tors. eta vs tors. theta energy: -54.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -850.750208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.750208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.750208 (E_RNA)
where:
Base-Base interactions energy: -572.031
where: short stacking energy: -250.316
Base-Backbone interact. energy: 0.894
local terms energy: -279.613294
where:
bonds (distance) C4'-P energy: -60.280
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -71.275
flat angles P-C4'-P energy: -37.160
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: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -698.166649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.166649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.166649 (E_RNA)
where:
Base-Base interactions energy: -449.708
where: short stacking energy: -211.684
Base-Backbone interact. energy: -1.776
local terms energy: -246.682289
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -60.244
flat angles P-C4'-P energy: -32.902
tors. eta vs tors. theta energy: -40.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -611.749563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.749563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.749563 (E_RNA)
where:
Base-Base interactions energy: -408.745
where: short stacking energy: -198.517
Base-Backbone interact. energy: 1.575
local terms energy: -204.579115
where:
bonds (distance) C4'-P energy: -46.000
bonds (distance) P-C4' energy: -34.945
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -37.737
tors. eta vs tors. theta energy: -34.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -444.170737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.170737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.170737 (E_RNA)
where:
Base-Base interactions energy: -263.261
where: short stacking energy: -143.324
Base-Backbone interact. energy: -1.075
local terms energy: -179.834250
where:
bonds (distance) C4'-P energy: -46.799
bonds (distance) P-C4' energy: -44.545
flat angles C4'-P-C4' energy: -43.145
flat angles P-C4'-P energy: -23.740
tors. eta vs tors. theta energy: -21.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1158.533847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.533847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.533847 (E_RNA)
where:
Base-Base interactions energy: -837.052
where: short stacking energy: -344.677
Base-Backbone interact. energy: -1.989
local terms energy: -319.492845
where:
bonds (distance) C4'-P energy: -65.894
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -64.129
flat angles P-C4'-P energy: -41.726
tors. eta vs tors. theta energy: -96.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1087.447925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.447925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.447925 (E_RNA)
where:
Base-Base interactions energy: -760.778
where: short stacking energy: -330.285
Base-Backbone interact. energy: -1.012
local terms energy: -325.657341
where:
bonds (distance) C4'-P energy: -60.903
bonds (distance) P-C4' energy: -54.680
flat angles C4'-P-C4' energy: -72.742
flat angles P-C4'-P energy: -40.273
tors. eta vs tors. theta energy: -97.059
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: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1064.609032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.609032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.609032 (E_RNA)
where:
Base-Base interactions energy: -742.269
where: short stacking energy: -306.639
Base-Backbone interact. energy: -2.665
local terms energy: -319.674302
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -54.073
flat angles C4'-P-C4' energy: -71.036
flat angles P-C4'-P energy: -48.491
tors. eta vs tors. theta energy: -85.022
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: 2
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1005.154538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.154538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.154538 (E_RNA)
where:
Base-Base interactions energy: -716.429
where: short stacking energy: -298.904
Base-Backbone interact. energy: -0.369
local terms energy: -288.356784
where:
bonds (distance) C4'-P energy: -45.364
bonds (distance) P-C4' energy: -61.566
flat angles C4'-P-C4' energy: -65.809
flat angles P-C4'-P energy: -40.739
tors. eta vs tors. theta energy: -74.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -936.716300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.716300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.716300 (E_RNA)
where:
Base-Base interactions energy: -651.831
where: short stacking energy: -276.908
Base-Backbone interact. energy: -0.695
local terms energy: -284.190984
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -48.400
flat angles C4'-P-C4' energy: -65.860
flat angles P-C4'-P energy: -35.283
tors. eta vs tors. theta energy: -78.564
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: 194
Temperature: 1.150000
Total energy: -837.903392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.903392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.903392 (E_RNA)
where:
Base-Base interactions energy: -583.704
where: short stacking energy: -260.284
Base-Backbone interact. energy: -1.215
local terms energy: -252.984282
where:
bonds (distance) C4'-P energy: -45.386
bonds (distance) P-C4' energy: -50.812
flat angles C4'-P-C4' energy: -58.483
flat angles P-C4'-P energy: -30.105
tors. eta vs tors. theta energy: -68.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -865.595190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.595190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.595190 (E_RNA)
where:
Base-Base interactions energy: -617.397
where: short stacking energy: -259.050
Base-Backbone interact. energy: -1.697
local terms energy: -246.500317
where:
bonds (distance) C4'-P energy: -34.749
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -58.589
flat angles P-C4'-P energy: -29.667
tors. eta vs tors. theta energy: -74.539
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: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -671.120415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.120415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.120415 (E_RNA)
where:
Base-Base interactions energy: -431.731
where: short stacking energy: -221.100
Base-Backbone interact. energy: 0.405
local terms energy: -239.794103
where:
bonds (distance) C4'-P energy: -36.046
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -52.064
flat angles P-C4'-P energy: -27.715
tors. eta vs tors. theta energy: -56.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -508.151948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.151948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.151948 (E_RNA)
where:
Base-Base interactions energy: -280.437
where: short stacking energy: -149.277
Base-Backbone interact. energy: -1.453
local terms energy: -226.262655
where:
bonds (distance) C4'-P energy: -33.992
bonds (distance) P-C4' energy: -61.955
flat angles C4'-P-C4' energy: -52.372
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -35.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -556.029155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.029155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.029155 (E_RNA)
where:
Base-Base interactions energy: -350.765
where: short stacking energy: -164.604
Base-Backbone interact. energy: -1.188
local terms energy: -204.075958
where:
bonds (distance) C4'-P energy: -41.579
bonds (distance) P-C4' energy: -53.186
flat angles C4'-P-C4' energy: -49.122
flat angles P-C4'-P energy: -37.562
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1146.745137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.745137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.745137 (E_RNA)
where:
Base-Base interactions energy: -826.702
where: short stacking energy: -343.166
Base-Backbone interact. energy: 2.174
local terms energy: -322.216995
where:
bonds (distance) C4'-P energy: -52.647
bonds (distance) P-C4' energy: -64.158
flat angles C4'-P-C4' energy: -73.786
flat angles P-C4'-P energy: -36.340
tors. eta vs tors. theta energy: -95.286
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: 6
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1082.766908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.766908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.766908 (E_RNA)
where:
Base-Base interactions energy: -765.881
where: short stacking energy: -334.216
Base-Backbone interact. energy: -1.008
local terms energy: -315.877493
where:
bonds (distance) C4'-P energy: -55.263
bonds (distance) P-C4' energy: -67.344
flat angles C4'-P-C4' energy: -63.966
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -94.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1044.117826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.117826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.117826 (E_RNA)
where:
Base-Base interactions energy: -737.308
where: short stacking energy: -309.697
Base-Backbone interact. energy: -2.116
local terms energy: -304.693863
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -53.422
flat angles C4'-P-C4' energy: -67.436
flat angles P-C4'-P energy: -42.948
tors. eta vs tors. theta energy: -82.057
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: 4, replica: 2
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1010.136509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.136509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.136509 (E_RNA)
where:
Base-Base interactions energy: -713.342
where: short stacking energy: -311.949
Base-Backbone interact. energy: -1.396
local terms energy: -295.399180
where:
bonds (distance) C4'-P energy: -53.441
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -66.499
flat angles P-C4'-P energy: -41.047
tors. eta vs tors. theta energy: -80.296
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: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -944.638989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.638989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.638989 (E_RNA)
where:
Base-Base interactions energy: -647.444
where: short stacking energy: -290.826
Base-Backbone interact. energy: -1.047
local terms energy: -296.148052
where:
bonds (distance) C4'-P energy: -45.922
bonds (distance) P-C4' energy: -62.655
flat angles C4'-P-C4' energy: -66.400
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -80.212
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: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -876.064809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.064809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.064809 (E_RNA)
where:
Base-Base interactions energy: -604.871
where: short stacking energy: -261.559
Base-Backbone interact. energy: -2.541
local terms energy: -268.652775
where:
bonds (distance) C4'-P energy: -41.655
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -64.911
flat angles P-C4'-P energy: -34.883
tors. eta vs tors. theta energy: -72.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -796.020558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.020558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.020558 (E_RNA)
where:
Base-Base interactions energy: -560.835
where: short stacking energy: -250.569
Base-Backbone interact. energy: 1.552
local terms energy: -236.737663
where:
bonds (distance) C4'-P energy: -37.550
bonds (distance) P-C4' energy: -56.004
flat angles C4'-P-C4' energy: -58.669
flat angles P-C4'-P energy: -28.287
tors. eta vs tors. theta energy: -56.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -699.139523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.139523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.139523 (E_RNA)
where:
Base-Base interactions energy: -465.127
where: short stacking energy: -217.698
Base-Backbone interact. energy: 0.916
local terms energy: -234.928041
where:
bonds (distance) C4'-P energy: -49.472
bonds (distance) P-C4' energy: -50.771
flat angles C4'-P-C4' energy: -44.562
flat angles P-C4'-P energy: -35.934
tors. eta vs tors. theta energy: -54.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -481.105582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.105582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.105582 (E_RNA)
where:
Base-Base interactions energy: -270.176
where: short stacking energy: -141.125
Base-Backbone interact. energy: -1.045
local terms energy: -209.884809
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -45.892
flat angles C4'-P-C4' energy: -58.531
flat angles P-C4'-P energy: -36.175
tors. eta vs tors. theta energy: -19.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -529.709990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.709990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.709990 (E_RNA)
where:
Base-Base interactions energy: -324.421
where: short stacking energy: -146.209
Base-Backbone interact. energy: -0.598
local terms energy: -204.691225
where:
bonds (distance) C4'-P energy: -48.338
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -47.172
flat angles P-C4'-P energy: -29.759
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1150.965014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.965014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.965014 (E_RNA)
where:
Base-Base interactions energy: -802.634
where: short stacking energy: -340.144
Base-Backbone interact. energy: -1.490
local terms energy: -346.841239
where:
bonds (distance) C4'-P energy: -65.032
bonds (distance) P-C4' energy: -62.691
flat angles C4'-P-C4' energy: -72.345
flat angles P-C4'-P energy: -50.426
tors. eta vs tors. theta energy: -96.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1080.342502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.342502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.342502 (E_RNA)
where:
Base-Base interactions energy: -758.454
where: short stacking energy: -326.251
Base-Backbone interact. energy: 0.703
local terms energy: -322.592013
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -58.237
flat angles C4'-P-C4' energy: -71.606
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -96.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1068.617715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.617715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.617715 (E_RNA)
where:
Base-Base interactions energy: -753.175
where: short stacking energy: -318.833
Base-Backbone interact. energy: -1.036
local terms energy: -314.406500
where:
bonds (distance) C4'-P energy: -56.279
bonds (distance) P-C4' energy: -59.500
flat angles C4'-P-C4' energy: -66.205
flat angles P-C4'-P energy: -43.441
tors. eta vs tors. theta energy: -88.981
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: 196
Temperature: 1.050000
Total energy: -1004.247893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.247893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.247893 (E_RNA)
where:
Base-Base interactions energy: -698.808
where: short stacking energy: -276.727
Base-Backbone interact. energy: 0.064
local terms energy: -305.503696
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -61.376
flat angles C4'-P-C4' energy: -74.423
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -74.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -909.628296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.628296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.628296 (E_RNA)
where:
Base-Base interactions energy: -614.923
where: short stacking energy: -270.496
Base-Backbone interact. energy: -2.576
local terms energy: -292.129316
where:
bonds (distance) C4'-P energy: -67.330
bonds (distance) P-C4' energy: -53.004
flat angles C4'-P-C4' energy: -59.848
flat angles P-C4'-P energy: -37.358
tors. eta vs tors. theta energy: -74.589
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: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -878.428210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.428210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.428210 (E_RNA)
where:
Base-Base interactions energy: -594.235
where: short stacking energy: -249.976
Base-Backbone interact. energy: -1.373
local terms energy: -282.819640
where:
bonds (distance) C4'-P energy: -51.182
bonds (distance) P-C4' energy: -46.400
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -45.392
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: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -817.261565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.261565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.261565 (E_RNA)
where:
Base-Base interactions energy: -562.775
where: short stacking energy: -256.409
Base-Backbone interact. energy: -1.016
local terms energy: -253.469842
where:
bonds (distance) C4'-P energy: -46.886
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -51.566
flat angles P-C4'-P energy: -41.303
tors. eta vs tors. theta energy: -63.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -663.015400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.015400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.015400 (E_RNA)
where:
Base-Base interactions energy: -423.568
where: short stacking energy: -202.621
Base-Backbone interact. energy: -1.355
local terms energy: -238.092527
where:
bonds (distance) C4'-P energy: -52.569
bonds (distance) P-C4' energy: -54.978
flat angles C4'-P-C4' energy: -55.229
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -48.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -545.583997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.583997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.583997 (E_RNA)
where:
Base-Base interactions energy: -324.390
where: short stacking energy: -171.252
Base-Backbone interact. energy: -0.173
local terms energy: -221.021239
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -29.715
tors. eta vs tors. theta energy: -37.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -485.681030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.681030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.681030 (E_RNA)
where:
Base-Base interactions energy: -320.820
where: short stacking energy: -155.469
Base-Backbone interact. energy: 2.667
local terms energy: -167.527991
where:
bonds (distance) C4'-P energy: -32.075
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -36.425
flat angles P-C4'-P energy: -25.224
tors. eta vs tors. theta energy: -19.005
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: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1145.658420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.658420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.658420 (E_RNA)
where:
Base-Base interactions energy: -806.905
where: short stacking energy: -333.843
Base-Backbone interact. energy: -1.789
local terms energy: -336.964506
where:
bonds (distance) C4'-P energy: -69.392
bonds (distance) P-C4' energy: -62.901
flat angles C4'-P-C4' energy: -68.315
flat angles P-C4'-P energy: -39.282
tors. eta vs tors. theta energy: -97.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1095.952878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.952878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.952878 (E_RNA)
where:
Base-Base interactions energy: -770.872
where: short stacking energy: -320.699
Base-Backbone interact. energy: -4.590
local terms energy: -320.491278
where:
bonds (distance) C4'-P energy: -61.900
bonds (distance) P-C4' energy: -57.154
flat angles C4'-P-C4' energy: -67.414
flat angles P-C4'-P energy: -41.709
tors. eta vs tors. theta energy: -92.313
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: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1067.971115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.971115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.971115 (E_RNA)
where:
Base-Base interactions energy: -741.184
where: short stacking energy: -308.653
Base-Backbone interact. energy: -0.575
local terms energy: -326.211840
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -58.728
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -47.471
tors. eta vs tors. theta energy: -90.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1026.559216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.559216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.559216 (E_RNA)
where:
Base-Base interactions energy: -723.922
where: short stacking energy: -312.522
Base-Backbone interact. energy: -1.102
local terms energy: -301.535048
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -55.638
flat angles C4'-P-C4' energy: -62.386
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -86.725
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: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -954.539686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.539686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.539686 (E_RNA)
where:
Base-Base interactions energy: -665.929
where: short stacking energy: -292.217
Base-Backbone interact. energy: -1.231
local terms energy: -287.379662
where:
bonds (distance) C4'-P energy: -41.403
bonds (distance) P-C4' energy: -57.301
flat angles C4'-P-C4' energy: -65.066
flat angles P-C4'-P energy: -41.689
tors. eta vs tors. theta energy: -81.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -881.353939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.353939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.353939 (E_RNA)
where:
Base-Base interactions energy: -602.799
where: short stacking energy: -268.809
Base-Backbone interact. energy: -0.830
local terms energy: -277.725681
where:
bonds (distance) C4'-P energy: -53.157
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -58.184
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -74.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -816.992842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.992842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.992842 (E_RNA)
where:
Base-Base interactions energy: -540.460
where: short stacking energy: -230.398
Base-Backbone interact. energy: -1.545
local terms energy: -274.987901
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -65.452
flat angles C4'-P-C4' energy: -55.136
flat angles P-C4'-P energy: -38.993
tors. eta vs tors. theta energy: -60.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -694.958742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.958742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.958742 (E_RNA)
where:
Base-Base interactions energy: -447.922
where: short stacking energy: -207.050
Base-Backbone interact. energy: -0.111
local terms energy: -246.925440
where:
bonds (distance) C4'-P energy: -47.760
bonds (distance) P-C4' energy: -53.391
flat angles C4'-P-C4' energy: -51.102
flat angles P-C4'-P energy: -34.909
tors. eta vs tors. theta energy: -59.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -565.166380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.166380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.166380 (E_RNA)
where:
Base-Base interactions energy: -352.391
where: short stacking energy: -163.996
Base-Backbone interact. energy: -1.289
local terms energy: -211.486332
where:
bonds (distance) C4'-P energy: -55.670
bonds (distance) P-C4' energy: -41.992
flat angles C4'-P-C4' energy: -52.829
flat angles P-C4'-P energy: -33.236
tors. eta vs tors. theta energy: -27.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -561.309676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.309676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.309676 (E_RNA)
where:
Base-Base interactions energy: -371.944
where: short stacking energy: -167.466
Base-Backbone interact. energy: -2.691
local terms energy: -186.674272
where:
bonds (distance) C4'-P energy: -38.681
bonds (distance) P-C4' energy: -42.422
flat angles C4'-P-C4' energy: -51.254
flat angles P-C4'-P energy: -30.180
tors. eta vs tors. theta energy: -24.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1138.639490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.639490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.639490 (E_RNA)
where:
Base-Base interactions energy: -794.602
where: short stacking energy: -328.481
Base-Backbone interact. energy: -1.478
local terms energy: -342.560253
where:
bonds (distance) C4'-P energy: -59.775
bonds (distance) P-C4' energy: -65.835
flat angles C4'-P-C4' energy: -71.780
flat angles P-C4'-P energy: -47.257
tors. eta vs tors. theta energy: -97.912
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: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1094.028649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.028649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.028649 (E_RNA)
where:
Base-Base interactions energy: -772.263
where: short stacking energy: -323.229
Base-Backbone interact. energy: -1.069
local terms energy: -320.697375
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -60.691
flat angles C4'-P-C4' energy: -73.797
flat angles P-C4'-P energy: -35.385
tors. eta vs tors. theta energy: -90.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1062.343351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.343351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.343351 (E_RNA)
where:
Base-Base interactions energy: -741.557
where: short stacking energy: -321.333
Base-Backbone interact. energy: -0.972
local terms energy: -319.814937
where:
bonds (distance) C4'-P energy: -58.917
bonds (distance) P-C4' energy: -62.504
flat angles C4'-P-C4' energy: -66.704
flat angles P-C4'-P energy: -38.228
tors. eta vs tors. theta energy: -93.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1018.706540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.706540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.706540 (E_RNA)
where:
Base-Base interactions energy: -725.865
where: short stacking energy: -305.588
Base-Backbone interact. energy: -0.781
local terms energy: -292.060625
where:
bonds (distance) C4'-P energy: -51.453
bonds (distance) P-C4' energy: -61.986
flat angles C4'-P-C4' energy: -66.922
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -77.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -966.334708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.334708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.334708 (E_RNA)
where:
Base-Base interactions energy: -672.666
where: short stacking energy: -301.003
Base-Backbone interact. energy: -1.987
local terms energy: -291.681841
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -57.459
flat angles P-C4'-P energy: -40.377
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: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -894.808370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.808370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.808370 (E_RNA)
where:
Base-Base interactions energy: -618.008
where: short stacking energy: -254.971
Base-Backbone interact. energy: -1.590
local terms energy: -275.209900
where:
bonds (distance) C4'-P energy: -61.334
bonds (distance) P-C4' energy: -47.518
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -40.690
tors. eta vs tors. theta energy: -64.820
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: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -825.304161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.304161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.304161 (E_RNA)
where:
Base-Base interactions energy: -549.351
where: short stacking energy: -226.965
Base-Backbone interact. energy: -0.917
local terms energy: -275.035721
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -64.761
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -60.925
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: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -739.487044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.487044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.487044 (E_RNA)
where:
Base-Base interactions energy: -492.597
where: short stacking energy: -224.453
Base-Backbone interact. energy: -1.160
local terms energy: -245.730148
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -50.115
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -63.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -518.652508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.652508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.652508 (E_RNA)
where:
Base-Base interactions energy: -322.490
where: short stacking energy: -158.528
Base-Backbone interact. energy: -3.701
local terms energy: -192.460640
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -44.875
flat angles C4'-P-C4' energy: -51.378
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -24.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -550.536559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.536559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.536559 (E_RNA)
where:
Base-Base interactions energy: -330.761
where: short stacking energy: -171.180
Base-Backbone interact. energy: -2.286
local terms energy: -217.489562
where:
bonds (distance) C4'-P energy: -56.679
bonds (distance) P-C4' energy: -48.313
flat angles C4'-P-C4' energy: -48.587
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -28.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1127.308097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.308097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.308097 (E_RNA)
where:
Base-Base interactions energy: -808.138
where: short stacking energy: -330.090
Base-Backbone interact. energy: -1.685
local terms energy: -317.485032
where:
bonds (distance) C4'-P energy: -63.459
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -63.675
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -95.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1083.335443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.335443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.335443 (E_RNA)
where:
Base-Base interactions energy: -761.687
where: short stacking energy: -314.086
Base-Backbone interact. energy: -0.414
local terms energy: -321.234029
where:
bonds (distance) C4'-P energy: -62.214
bonds (distance) P-C4' energy: -62.909
flat angles C4'-P-C4' energy: -67.475
flat angles P-C4'-P energy: -43.301
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: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1067.853890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.853890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.853890 (E_RNA)
where:
Base-Base interactions energy: -766.352
where: short stacking energy: -324.805
Base-Backbone interact. energy: -0.739
local terms energy: -300.763216
where:
bonds (distance) C4'-P energy: -55.286
bonds (distance) P-C4' energy: -46.077
flat angles C4'-P-C4' energy: -69.699
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -92.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1000.409047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.409047 (E_RNA)
where:
Base-Base interactions energy: -696.083
where: short stacking energy: -295.757
Base-Backbone interact. energy: 1.732
local terms energy: -306.058002
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -71.147
flat angles P-C4'-P energy: -41.698
tors. eta vs tors. theta energy: -81.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -902.482858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.482858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.482858 (E_RNA)
where:
Base-Base interactions energy: -623.161
where: short stacking energy: -274.858
Base-Backbone interact. energy: 0.450
local terms energy: -279.771921
where:
bonds (distance) C4'-P energy: -47.642
bonds (distance) P-C4' energy: -56.978
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -895.012264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.012264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.012264 (E_RNA)
where:
Base-Base interactions energy: -619.395
where: short stacking energy: -278.495
Base-Backbone interact. energy: 1.089
local terms energy: -276.706717
where:
bonds (distance) C4'-P energy: -43.688
bonds (distance) P-C4' energy: -47.396
flat angles C4'-P-C4' energy: -67.219
flat angles P-C4'-P energy: -36.406
tors. eta vs tors. theta energy: -81.999
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: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -823.592370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.592370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.592370 (E_RNA)
where:
Base-Base interactions energy: -573.025
where: short stacking energy: -236.916
Base-Backbone interact. energy: 0.772
local terms energy: -251.339734
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -48.767
flat angles C4'-P-C4' energy: -63.976
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: -60.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -700.290528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.290528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.290528 (E_RNA)
where:
Base-Base interactions energy: -474.806
where: short stacking energy: -215.598
Base-Backbone interact. energy: -1.175
local terms energy: -224.309254
where:
bonds (distance) C4'-P energy: -47.372
bonds (distance) P-C4' energy: -41.253
flat angles C4'-P-C4' energy: -48.932
flat angles P-C4'-P energy: -31.804
tors. eta vs tors. theta energy: -54.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -540.208803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.208803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.208803 (E_RNA)
where:
Base-Base interactions energy: -321.511
where: short stacking energy: -154.027
Base-Backbone interact. energy: -1.712
local terms energy: -216.985544
where:
bonds (distance) C4'-P energy: -35.420
bonds (distance) P-C4' energy: -56.327
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -42.985
tors. eta vs tors. theta energy: -24.899
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: 199
Temperature: 1.350000
Total energy: -471.854964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.854964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.854964 (E_RNA)
where:
Base-Base interactions energy: -279.163
where: short stacking energy: -145.423
Base-Backbone interact. energy: -0.409
local terms energy: -192.282869
where:
bonds (distance) C4'-P energy: -40.310
bonds (distance) P-C4' energy: -47.067
flat angles C4'-P-C4' energy: -58.640
flat angles P-C4'-P energy: -25.561
tors. eta vs tors. theta energy: -20.705
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: 200
Temperature: 0.900000
Total energy: -1112.838791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.838791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.838791 (E_RNA)
where:
Base-Base interactions energy: -790.581
where: short stacking energy: -325.380
Base-Backbone interact. energy: -2.289
local terms energy: -319.969200
where:
bonds (distance) C4'-P energy: -65.846
bonds (distance) P-C4' energy: -56.459
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -32.240
tors. eta vs tors. theta energy: -91.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1120.361017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.361017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.361017 (E_RNA)
where:
Base-Base interactions energy: -804.779
where: short stacking energy: -325.438
Base-Backbone interact. energy: -1.187
local terms energy: -314.395254
where:
bonds (distance) C4'-P energy: -52.475
bonds (distance) P-C4' energy: -55.353
flat angles C4'-P-C4' energy: -67.693
flat angles P-C4'-P energy: -48.041
tors. eta vs tors. theta energy: -90.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1050.270899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.270899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.270899 (E_RNA)
where:
Base-Base interactions energy: -727.736
where: short stacking energy: -321.108
Base-Backbone interact. energy: -1.684
local terms energy: -320.850475
where:
bonds (distance) C4'-P energy: -53.407
bonds (distance) P-C4' energy: -63.353
flat angles C4'-P-C4' energy: -67.031
flat angles P-C4'-P energy: -43.613
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: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1015.799611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.799611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.799611 (E_RNA)
where:
Base-Base interactions energy: -704.021
where: short stacking energy: -300.342
Base-Backbone interact. energy: 0.233
local terms energy: -312.011749
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -59.559
flat angles C4'-P-C4' energy: -66.568
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -81.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -915.206512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.206512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.206512 (E_RNA)
where:
Base-Base interactions energy: -643.519
where: short stacking energy: -288.879
Base-Backbone interact. energy: 3.528
local terms energy: -275.215636
where:
bonds (distance) C4'-P energy: -56.669
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -58.841
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -910.846941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.846941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.846941 (E_RNA)
where:
Base-Base interactions energy: -616.190
where: short stacking energy: -266.364
Base-Backbone interact. energy: 0.622
local terms energy: -295.279517
where:
bonds (distance) C4'-P energy: -67.778
bonds (distance) P-C4' energy: -51.340
flat angles C4'-P-C4' energy: -60.102
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -75.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -825.170320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.170320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.170320 (E_RNA)
where:
Base-Base interactions energy: -552.849
where: short stacking energy: -244.165
Base-Backbone interact. energy: -0.874
local terms energy: -271.447112
where:
bonds (distance) C4'-P energy: -60.977
bonds (distance) P-C4' energy: -56.322
flat angles C4'-P-C4' energy: -58.663
flat angles P-C4'-P energy: -30.953
tors. eta vs tors. theta energy: -64.532
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: 8, replica: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -689.312672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.312672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.312672 (E_RNA)
where:
Base-Base interactions energy: -434.341
where: short stacking energy: -195.745
Base-Backbone interact. energy: -0.643
local terms energy: -254.328894
where:
bonds (distance) C4'-P energy: -55.588
bonds (distance) P-C4' energy: -57.166
flat angles C4'-P-C4' energy: -57.612
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -46.826
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: 9, replica: 4
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -514.538694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.538694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.538694 (E_RNA)
where:
Base-Base interactions energy: -316.047
where: short stacking energy: -147.872
Base-Backbone interact. energy: -0.744
local terms energy: -197.747368
where:
bonds (distance) C4'-P energy: -40.549
bonds (distance) P-C4' energy: -40.680
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -34.795
tors. eta vs tors. theta energy: -24.489
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: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -455.187945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.187945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.187945 (E_RNA)
where:
Base-Base interactions energy: -269.392
where: short stacking energy: -154.836
Base-Backbone interact. energy: -1.640
local terms energy: -184.155962
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -51.221
flat angles C4'-P-C4' energy: -45.824
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -27.308
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: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1126.382537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.382537 (E_RNA)
where:
Base-Base interactions energy: -814.175
where: short stacking energy: -340.306
Base-Backbone interact. energy: 1.383
local terms energy: -313.591443
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -70.781
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -91.582
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: 1
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1136.355668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.355668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.355668 (E_RNA)
where:
Base-Base interactions energy: -795.250
where: short stacking energy: -325.108
Base-Backbone interact. energy: -2.157
local terms energy: -338.948671
where:
bonds (distance) C4'-P energy: -72.738
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -67.025
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -87.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1059.987075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.987075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.987075 (E_RNA)
where:
Base-Base interactions energy: -736.757
where: short stacking energy: -328.892
Base-Backbone interact. energy: 0.315
local terms energy: -323.544873
where:
bonds (distance) C4'-P energy: -53.422
bonds (distance) P-C4' energy: -63.365
flat angles C4'-P-C4' energy: -63.504
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -98.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -978.081642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.081642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.081642 (E_RNA)
where:
Base-Base interactions energy: -658.465
where: short stacking energy: -287.642
Base-Backbone interact. energy: -1.300
local terms energy: -318.316663
where:
bonds (distance) C4'-P energy: -59.047
bonds (distance) P-C4' energy: -62.988
flat angles C4'-P-C4' energy: -69.109
flat angles P-C4'-P energy: -42.597
tors. eta vs tors. theta energy: -84.575
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -978.453246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.453246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.453246 (E_RNA)
where:
Base-Base interactions energy: -705.388
where: short stacking energy: -281.486
Base-Backbone interact. energy: 5.263
local terms energy: -278.327786
where:
bonds (distance) C4'-P energy: -61.370
bonds (distance) P-C4' energy: -50.663
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -62.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -918.347412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.347412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.347412 (E_RNA)
where:
Base-Base interactions energy: -629.201
where: short stacking energy: -283.668
Base-Backbone interact. energy: -0.071
local terms energy: -289.075236
where:
bonds (distance) C4'-P energy: -43.793
bonds (distance) P-C4' energy: -60.461
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -35.543
tors. eta vs tors. theta energy: -79.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -816.380488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.380488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.380488 (E_RNA)
where:
Base-Base interactions energy: -560.621
where: short stacking energy: -235.060
Base-Backbone interact. energy: -1.180
local terms energy: -254.579800
where:
bonds (distance) C4'-P energy: -46.363
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -37.639
tors. eta vs tors. theta energy: -62.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -744.389591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.389591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.389591 (E_RNA)
where:
Base-Base interactions energy: -498.411
where: short stacking energy: -232.362
Base-Backbone interact. energy: 1.515
local terms energy: -247.493299
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -49.900
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -59.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -533.725239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.725239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.725239 (E_RNA)
where:
Base-Base interactions energy: -320.250
where: short stacking energy: -145.177
Base-Backbone interact. energy: -0.850
local terms energy: -212.625763
where:
bonds (distance) C4'-P energy: -35.916
bonds (distance) P-C4' energy: -58.607
flat angles C4'-P-C4' energy: -46.858
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -29.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -453.620403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.620403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.620403 (E_RNA)
where:
Base-Base interactions energy: -250.266
where: short stacking energy: -122.335
Base-Backbone interact. energy: -0.801
local terms energy: -202.554103
where:
bonds (distance) C4'-P energy: -54.313
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -53.104
flat angles P-C4'-P energy: -25.705
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1144.274414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.274414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.274414 (E_RNA)
where:
Base-Base interactions energy: -805.281
where: short stacking energy: -338.002
Base-Backbone interact. energy: -0.598
local terms energy: -338.395366
where:
bonds (distance) C4'-P energy: -64.486
bonds (distance) P-C4' energy: -66.110
flat angles C4'-P-C4' energy: -70.517
flat angles P-C4'-P energy: -41.004
tors. eta vs tors. theta energy: -96.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1106.925617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.925617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.925617 (E_RNA)
where:
Base-Base interactions energy: -782.936
where: short stacking energy: -312.264
Base-Backbone interact. energy: 2.113
local terms energy: -326.102113
where:
bonds (distance) C4'-P energy: -55.572
bonds (distance) P-C4' energy: -66.570
flat angles C4'-P-C4' energy: -65.030
flat angles P-C4'-P energy: -47.158
tors. eta vs tors. theta energy: -91.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1069.010801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.010801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.010801 (E_RNA)
where:
Base-Base interactions energy: -747.648
where: short stacking energy: -329.903
Base-Backbone interact. energy: -0.975
local terms energy: -320.388049
where:
bonds (distance) C4'-P energy: -58.485
bonds (distance) P-C4' energy: -51.227
flat angles C4'-P-C4' energy: -67.023
flat angles P-C4'-P energy: -47.569
tors. eta vs tors. theta energy: -96.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -961.091432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.091432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.091432 (E_RNA)
where:
Base-Base interactions energy: -634.378
where: short stacking energy: -293.231
Base-Backbone interact. energy: -0.791
local terms energy: -325.922167
where:
bonds (distance) C4'-P energy: -65.873
bonds (distance) P-C4' energy: -62.320
flat angles C4'-P-C4' energy: -68.280
flat angles P-C4'-P energy: -47.940
tors. eta vs tors. theta energy: -81.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -921.936175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.936175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.936175 (E_RNA)
where:
Base-Base interactions energy: -623.973
where: short stacking energy: -258.760
Base-Backbone interact. energy: -1.351
local terms energy: -296.611830
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -64.307
flat angles C4'-P-C4' energy: -61.516
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -76.788
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: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -950.437329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.437329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.437329 (E_RNA)
where:
Base-Base interactions energy: -668.002
where: short stacking energy: -265.403
Base-Backbone interact. energy: -0.600
local terms energy: -281.835379
where:
bonds (distance) C4'-P energy: -44.229
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -40.588
tors. eta vs tors. theta energy: -75.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -820.402049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.402049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.402049 (E_RNA)
where:
Base-Base interactions energy: -556.706
where: short stacking energy: -234.240
Base-Backbone interact. energy: 0.304
local terms energy: -264.000777
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -58.750
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -34.252
tors. eta vs tors. theta energy: -59.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -661.798072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.798072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.798072 (E_RNA)
where:
Base-Base interactions energy: -422.634
where: short stacking energy: -209.506
Base-Backbone interact. energy: -1.626
local terms energy: -237.537356
where:
bonds (distance) C4'-P energy: -58.372
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -41.001
flat angles P-C4'-P energy: -31.949
tors. eta vs tors. theta energy: -51.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -420.825491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.825491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.825491 (E_RNA)
where:
Base-Base interactions energy: -236.350
where: short stacking energy: -136.435
Base-Backbone interact. energy: -2.452
local terms energy: -182.024311
where:
bonds (distance) C4'-P energy: -49.285
bonds (distance) P-C4' energy: -41.910
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -19.436
tors. eta vs tors. theta energy: -16.367
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: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -550.185383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.185383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.185383 (E_RNA)
where:
Base-Base interactions energy: -357.324
where: short stacking energy: -191.881
Base-Backbone interact. energy: -0.548
local terms energy: -192.313518
where:
bonds (distance) C4'-P energy: -35.557
bonds (distance) P-C4' energy: -41.573
flat angles C4'-P-C4' energy: -55.706
flat angles P-C4'-P energy: -29.337
tors. eta vs tors. theta energy: -30.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1118.022357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.022357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.022357 (E_RNA)
where:
Base-Base interactions energy: -793.395
where: short stacking energy: -330.699
Base-Backbone interact. energy: -2.925
local terms energy: -321.702472
where:
bonds (distance) C4'-P energy: -59.709
bonds (distance) P-C4' energy: -61.703
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -42.238
tors. eta vs tors. theta energy: -89.928
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: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1120.901446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.901446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.901446 (E_RNA)
where:
Base-Base interactions energy: -772.269
where: short stacking energy: -325.282
Base-Backbone interact. energy: -1.780
local terms energy: -346.852327
where:
bonds (distance) C4'-P energy: -64.246
bonds (distance) P-C4' energy: -67.094
flat angles C4'-P-C4' energy: -72.300
flat angles P-C4'-P energy: -43.183
tors. eta vs tors. theta energy: -100.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1069.323519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.323519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.323519 (E_RNA)
where:
Base-Base interactions energy: -745.267
where: short stacking energy: -330.860
Base-Backbone interact. energy: 0.742
local terms energy: -324.798404
where:
bonds (distance) C4'-P energy: -60.550
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -66.725
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: -89.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -950.387294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.387294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.387294 (E_RNA)
where:
Base-Base interactions energy: -651.143
where: short stacking energy: -289.721
Base-Backbone interact. energy: 0.269
local terms energy: -299.513339
where:
bonds (distance) C4'-P energy: -55.033
bonds (distance) P-C4' energy: -55.680
flat angles C4'-P-C4' energy: -69.253
flat angles P-C4'-P energy: -41.331
tors. eta vs tors. theta energy: -78.217
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: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -942.023749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.023749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.023749 (E_RNA)
where:
Base-Base interactions energy: -657.035
where: short stacking energy: -286.398
Base-Backbone interact. energy: -1.279
local terms energy: -283.709640
where:
bonds (distance) C4'-P energy: -52.356
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -57.760
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -75.728
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: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -933.680430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.680430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.680430 (E_RNA)
where:
Base-Base interactions energy: -654.386
where: short stacking energy: -273.723
Base-Backbone interact. energy: -0.924
local terms energy: -278.370577
where:
bonds (distance) C4'-P energy: -50.115
bonds (distance) P-C4' energy: -57.758
flat angles C4'-P-C4' energy: -61.421
flat angles P-C4'-P energy: -39.723
tors. eta vs tors. theta energy: -69.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -810.881373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.881373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.881373 (E_RNA)
where:
Base-Base interactions energy: -568.896
where: short stacking energy: -233.963
Base-Backbone interact. energy: -1.411
local terms energy: -240.575025
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -43.792
flat angles C4'-P-C4' energy: -55.672
flat angles P-C4'-P energy: -39.065
tors. eta vs tors. theta energy: -54.095
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -663.500927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.500927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.500927 (E_RNA)
where:
Base-Base interactions energy: -434.532
where: short stacking energy: -207.216
Base-Backbone interact. energy: 3.858
local terms energy: -232.827433
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -43.672
flat angles P-C4'-P energy: -28.928
tors. eta vs tors. theta energy: -54.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -454.167775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.167775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.167775 (E_RNA)
where:
Base-Base interactions energy: -257.507
where: short stacking energy: -130.424
Base-Backbone interact. energy: -2.243
local terms energy: -194.418023
where:
bonds (distance) C4'-P energy: -46.894
bonds (distance) P-C4' energy: -59.349
flat angles C4'-P-C4' energy: -42.957
flat angles P-C4'-P energy: -19.883
tors. eta vs tors. theta energy: -25.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -522.800907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.800907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.800907 (E_RNA)
where:
Base-Base interactions energy: -322.575
where: short stacking energy: -169.247
Base-Backbone interact. energy: -1.139
local terms energy: -199.087353
where:
bonds (distance) C4'-P energy: -35.750
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -51.702
flat angles P-C4'-P energy: -31.273
tors. eta vs tors. theta energy: -29.203
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: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1134.214142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.214142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.214142 (E_RNA)
where:
Base-Base interactions energy: -818.347
where: short stacking energy: -329.753
Base-Backbone interact. energy: 0.617
local terms energy: -316.483682
where:
bonds (distance) C4'-P energy: -62.197
bonds (distance) P-C4' energy: -65.519
flat angles C4'-P-C4' energy: -68.325
flat angles P-C4'-P energy: -28.246
tors. eta vs tors. theta energy: -92.197
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: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1114.058563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.058563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.058563 (E_RNA)
where:
Base-Base interactions energy: -805.695
where: short stacking energy: -339.685
Base-Backbone interact. energy: -0.271
local terms energy: -308.092462
where:
bonds (distance) C4'-P energy: -61.541
bonds (distance) P-C4' energy: -49.177
flat angles C4'-P-C4' energy: -69.216
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -89.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1065.956927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.956927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.956927 (E_RNA)
where:
Base-Base interactions energy: -752.047
where: short stacking energy: -340.567
Base-Backbone interact. energy: -0.527
local terms energy: -313.382522
where:
bonds (distance) C4'-P energy: -55.489
bonds (distance) P-C4' energy: -66.590
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -33.026
tors. eta vs tors. theta energy: -97.372
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: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -941.396332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.396332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.396332 (E_RNA)
where:
Base-Base interactions energy: -652.702
where: short stacking energy: -300.067
Base-Backbone interact. energy: 0.632
local terms energy: -289.325597
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -53.289
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -46.321
tors. eta vs tors. theta energy: -71.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -935.978235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.978235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.978235 (E_RNA)
where:
Base-Base interactions energy: -652.613
where: short stacking energy: -275.013
Base-Backbone interact. energy: 0.132
local terms energy: -283.497570
where:
bonds (distance) C4'-P energy: -48.572
bonds (distance) P-C4' energy: -58.481
flat angles C4'-P-C4' energy: -67.513
flat angles P-C4'-P energy: -38.233
tors. eta vs tors. theta energy: -70.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -891.990945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.990945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.990945 (E_RNA)
where:
Base-Base interactions energy: -597.819
where: short stacking energy: -251.917
Base-Backbone interact. energy: 3.300
local terms energy: -297.471429
where:
bonds (distance) C4'-P energy: -60.730
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -63.719
flat angles P-C4'-P energy: -40.407
tors. eta vs tors. theta energy: -79.988
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: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -793.802487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.802487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.802487 (E_RNA)
where:
Base-Base interactions energy: -549.885
where: short stacking energy: -224.673
Base-Backbone interact. energy: 1.367
local terms energy: -245.284647
where:
bonds (distance) C4'-P energy: -47.129
bonds (distance) P-C4' energy: -46.660
flat angles C4'-P-C4' energy: -57.440
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -55.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -699.753080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.753080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.753080 (E_RNA)
where:
Base-Base interactions energy: -433.672
where: short stacking energy: -210.971
Base-Backbone interact. energy: -2.669
local terms energy: -263.412294
where:
bonds (distance) C4'-P energy: -49.184
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -59.574
flat angles P-C4'-P energy: -47.658
tors. eta vs tors. theta energy: -55.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -554.368687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.368687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.368687 (E_RNA)
where:
Base-Base interactions energy: -361.769
where: short stacking energy: -160.334
Base-Backbone interact. energy: 0.499
local terms energy: -193.098280
where:
bonds (distance) C4'-P energy: -39.512
bonds (distance) P-C4' energy: -48.119
flat angles C4'-P-C4' energy: -42.837
flat angles P-C4'-P energy: -26.772
tors. eta vs tors. theta energy: -35.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -468.420032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.420032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.420032 (E_RNA)
where:
Base-Base interactions energy: -287.105
where: short stacking energy: -139.415
Base-Backbone interact. energy: 0.737
local terms energy: -182.051963
where:
bonds (distance) C4'-P energy: -48.812
bonds (distance) P-C4' energy: -60.682
flat angles C4'-P-C4' energy: -41.566
flat angles P-C4'-P energy: -20.053
tors. eta vs tors. theta energy: -10.939
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: 205
Temperature: 0.900000
Total energy: -1123.907858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.907858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.907858 (E_RNA)
where:
Base-Base interactions energy: -791.763
where: short stacking energy: -330.336
Base-Backbone interact. energy: -0.634
local terms energy: -331.511368
where:
bonds (distance) C4'-P energy: -61.076
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -71.989
flat angles P-C4'-P energy: -44.675
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1128.676333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.676333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.676333 (E_RNA)
where:
Base-Base interactions energy: -817.086
where: short stacking energy: -337.601
Base-Backbone interact. energy: -1.253
local terms energy: -310.337660
where:
bonds (distance) C4'-P energy: -58.245
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -65.055
flat angles P-C4'-P energy: -40.990
tors. eta vs tors. theta energy: -90.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1060.102187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.102187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.102187 (E_RNA)
where:
Base-Base interactions energy: -748.651
where: short stacking energy: -325.619
Base-Backbone interact. energy: 3.137
local terms energy: -314.588339
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -59.755
flat angles P-C4'-P energy: -44.261
tors. eta vs tors. theta energy: -92.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -958.287009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.287009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.287009 (E_RNA)
where:
Base-Base interactions energy: -649.247
where: short stacking energy: -278.411
Base-Backbone interact. energy: 0.062
local terms energy: -309.102419
where:
bonds (distance) C4'-P energy: -64.717
bonds (distance) P-C4' energy: -57.455
flat angles C4'-P-C4' energy: -69.694
flat angles P-C4'-P energy: -42.019
tors. eta vs tors. theta energy: -75.218
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: 10
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -909.666844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.666844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.666844 (E_RNA)
where:
Base-Base interactions energy: -635.201
where: short stacking energy: -264.156
Base-Backbone interact. energy: 0.361
local terms energy: -274.827456
where:
bonds (distance) C4'-P energy: -49.938
bonds (distance) P-C4' energy: -55.845
flat angles C4'-P-C4' energy: -57.034
flat angles P-C4'-P energy: -43.882
tors. eta vs tors. theta energy: -68.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -885.880548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.880548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.880548 (E_RNA)
where:
Base-Base interactions energy: -606.655
where: short stacking energy: -254.750
Base-Backbone interact. energy: -0.785
local terms energy: -278.440556
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -69.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -847.209076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.209076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.209076 (E_RNA)
where:
Base-Base interactions energy: -570.296
where: short stacking energy: -252.619
Base-Backbone interact. energy: -0.256
local terms energy: -276.657283
where:
bonds (distance) C4'-P energy: -47.675
bonds (distance) P-C4' energy: -57.777
flat angles C4'-P-C4' energy: -62.409
flat angles P-C4'-P energy: -34.197
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -676.507021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.507021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.507021 (E_RNA)
where:
Base-Base interactions energy: -435.625
where: short stacking energy: -205.334
Base-Backbone interact. energy: -1.595
local terms energy: -239.287195
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -46.884
flat angles C4'-P-C4' energy: -57.508
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -51.366
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: 4
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -577.297593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.297593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.297593 (E_RNA)
where:
Base-Base interactions energy: -364.438
where: short stacking energy: -167.653
Base-Backbone interact. energy: -1.322
local terms energy: -211.537382
where:
bonds (distance) C4'-P energy: -50.844
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -45.582
flat angles P-C4'-P energy: -35.395
tors. eta vs tors. theta energy: -34.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -405.376981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.376981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.376981 (E_RNA)
where:
Base-Base interactions energy: -244.098
where: short stacking energy: -138.313
Base-Backbone interact. energy: 2.511
local terms energy: -163.790178
where:
bonds (distance) C4'-P energy: -44.429
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -25.380
tors. eta vs tors. theta energy: -2.820
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: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1132.724167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.724167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.724167 (E_RNA)
where:
Base-Base interactions energy: -804.158
where: short stacking energy: -334.773
Base-Backbone interact. energy: -0.164
local terms energy: -328.401653
where:
bonds (distance) C4'-P energy: -52.860
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -69.026
flat angles P-C4'-P energy: -50.066
tors. eta vs tors. theta energy: -96.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1106.954268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.954268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.954268 (E_RNA)
where:
Base-Base interactions energy: -787.062
where: short stacking energy: -328.239
Base-Backbone interact. energy: -1.677
local terms energy: -318.215557
where:
bonds (distance) C4'-P energy: -56.256
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -59.929
flat angles P-C4'-P energy: -44.246
tors. eta vs tors. theta energy: -92.617
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1039.790364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.790364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.790364 (E_RNA)
where:
Base-Base interactions energy: -731.141
where: short stacking energy: -328.612
Base-Backbone interact. energy: 0.319
local terms energy: -308.968305
where:
bonds (distance) C4'-P energy: -49.816
bonds (distance) P-C4' energy: -50.527
flat angles C4'-P-C4' energy: -63.717
flat angles P-C4'-P energy: -42.465
tors. eta vs tors. theta energy: -102.443
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: 206
Temperature: 1.050000
Total energy: -978.023308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.023308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.023308 (E_RNA)
where:
Base-Base interactions energy: -693.782
where: short stacking energy: -288.989
Base-Backbone interact. energy: 0.727
local terms energy: -284.968444
where:
bonds (distance) C4'-P energy: -58.425
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -65.162
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -76.014
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: 7
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -948.471031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.471031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.471031 (E_RNA)
where:
Base-Base interactions energy: -652.556
where: short stacking energy: -272.638
Base-Backbone interact. energy: -2.324
local terms energy: -293.590882
where:
bonds (distance) C4'-P energy: -60.953
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -63.308
flat angles P-C4'-P energy: -45.612
tors. eta vs tors. theta energy: -75.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -891.812750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.812750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.812750 (E_RNA)
where:
Base-Base interactions energy: -607.761
where: short stacking energy: -284.738
Base-Backbone interact. energy: 3.096
local terms energy: -287.148306
where:
bonds (distance) C4'-P energy: -47.805
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -61.655
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -76.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -828.797147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.797147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.797147 (E_RNA)
where:
Base-Base interactions energy: -559.359
where: short stacking energy: -248.381
Base-Backbone interact. energy: -2.472
local terms energy: -266.966477
where:
bonds (distance) C4'-P energy: -51.455
bonds (distance) P-C4' energy: -54.520
flat angles C4'-P-C4' energy: -60.459
flat angles P-C4'-P energy: -37.068
tors. eta vs tors. theta energy: -63.464
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: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -638.478211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.478211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.478211 (E_RNA)
where:
Base-Base interactions energy: -401.433
where: short stacking energy: -190.387
Base-Backbone interact. energy: -1.784
local terms energy: -235.261024
where:
bonds (distance) C4'-P energy: -59.524
bonds (distance) P-C4' energy: -51.448
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -30.036
tors. eta vs tors. theta energy: -41.110
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: 4
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -551.051797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.051797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.051797 (E_RNA)
where:
Base-Base interactions energy: -341.684
where: short stacking energy: -170.043
Base-Backbone interact. energy: -0.910
local terms energy: -208.458166
where:
bonds (distance) C4'-P energy: -42.344
bonds (distance) P-C4' energy: -52.980
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -20.836
tors. eta vs tors. theta energy: -37.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -424.688672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.688672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.688672 (E_RNA)
where:
Base-Base interactions energy: -244.880
where: short stacking energy: -135.087
Base-Backbone interact. energy: -0.168
local terms energy: -179.640477
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -46.863
flat angles C4'-P-C4' energy: -46.436
flat angles P-C4'-P energy: -20.007
tors. eta vs tors. theta energy: -13.297
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: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1158.939245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.939245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.939245 (E_RNA)
where:
Base-Base interactions energy: -827.488
where: short stacking energy: -346.781
Base-Backbone interact. energy: -1.446
local terms energy: -330.005328
where:
bonds (distance) C4'-P energy: -67.777
bonds (distance) P-C4' energy: -63.516
flat angles C4'-P-C4' energy: -65.668
flat angles P-C4'-P energy: -43.633
tors. eta vs tors. theta energy: -89.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1115.204940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.204940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.204940 (E_RNA)
where:
Base-Base interactions energy: -796.906
where: short stacking energy: -334.293
Base-Backbone interact. energy: -1.525
local terms energy: -316.774400
where:
bonds (distance) C4'-P energy: -60.906
bonds (distance) P-C4' energy: -66.230
flat angles C4'-P-C4' energy: -63.086
flat angles P-C4'-P energy: -33.428
tors. eta vs tors. theta energy: -93.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1059.359394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.359394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.359394 (E_RNA)
where:
Base-Base interactions energy: -733.471
where: short stacking energy: -323.289
Base-Backbone interact. energy: -0.519
local terms energy: -325.368589
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -64.606
flat angles C4'-P-C4' energy: -66.240
flat angles P-C4'-P energy: -42.517
tors. eta vs tors. theta energy: -96.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -980.002632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.002632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.002632 (E_RNA)
where:
Base-Base interactions energy: -677.712
where: short stacking energy: -281.700
Base-Backbone interact. energy: -2.604
local terms energy: -299.687264
where:
bonds (distance) C4'-P energy: -53.985
bonds (distance) P-C4' energy: -62.231
flat angles C4'-P-C4' energy: -63.510
flat angles P-C4'-P energy: -43.531
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: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -914.592577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.592577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.592577 (E_RNA)
where:
Base-Base interactions energy: -628.736
where: short stacking energy: -273.404
Base-Backbone interact. energy: 2.568
local terms energy: -288.425301
where:
bonds (distance) C4'-P energy: -50.360
bonds (distance) P-C4' energy: -58.118
flat angles C4'-P-C4' energy: -62.580
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -72.634
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: 6, replica: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -888.540006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.540006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.540006 (E_RNA)
where:
Base-Base interactions energy: -610.016
where: short stacking energy: -272.563
Base-Backbone interact. energy: -0.077
local terms energy: -278.446187
where:
bonds (distance) C4'-P energy: -44.364
bonds (distance) P-C4' energy: -54.334
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -71.957
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: 207
Temperature: 1.200000
Total energy: -818.279015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.279015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.279015 (E_RNA)
where:
Base-Base interactions energy: -554.496
where: short stacking energy: -236.271
Base-Backbone interact. energy: -1.173
local terms energy: -262.610538
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -57.332
flat angles C4'-P-C4' energy: -56.801
flat angles P-C4'-P energy: -29.700
tors. eta vs tors. theta energy: -61.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -634.171520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.171520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.171520 (E_RNA)
where:
Base-Base interactions energy: -407.504
where: short stacking energy: -194.786
Base-Backbone interact. energy: -0.823
local terms energy: -225.844233
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -52.197
flat angles C4'-P-C4' energy: -58.463
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -46.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -575.982505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.982505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.982505 (E_RNA)
where:
Base-Base interactions energy: -360.144
where: short stacking energy: -186.462
Base-Backbone interact. energy: 2.394
local terms energy: -218.232021
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -38.953
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -29.385
tors. eta vs tors. theta energy: -32.811
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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -423.602351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.602351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.602351 (E_RNA)
where:
Base-Base interactions energy: -241.387
where: short stacking energy: -127.694
Base-Backbone interact. energy: -0.959
local terms energy: -181.256128
where:
bonds (distance) C4'-P energy: -43.814
bonds (distance) P-C4' energy: -38.569
flat angles C4'-P-C4' energy: -48.275
flat angles P-C4'-P energy: -33.322
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1142.838358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.838358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.838358 (E_RNA)
where:
Base-Base interactions energy: -822.479
where: short stacking energy: -338.014
Base-Backbone interact. energy: -0.420
local terms energy: -319.939111
where:
bonds (distance) C4'-P energy: -57.090
bonds (distance) P-C4' energy: -56.050
flat angles C4'-P-C4' energy: -67.289
flat angles P-C4'-P energy: -43.046
tors. eta vs tors. theta energy: -96.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1091.059362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.059362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.059362 (E_RNA)
where:
Base-Base interactions energy: -774.335
where: short stacking energy: -326.103
Base-Backbone interact. energy: -1.832
local terms energy: -314.892158
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -60.880
flat angles C4'-P-C4' energy: -63.742
flat angles P-C4'-P energy: -42.804
tors. eta vs tors. theta energy: -89.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1061.539889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.539889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.539889 (E_RNA)
where:
Base-Base interactions energy: -743.771
where: short stacking energy: -325.759
Base-Backbone interact. energy: -1.115
local terms energy: -316.653587
where:
bonds (distance) C4'-P energy: -55.119
bonds (distance) P-C4' energy: -60.709
flat angles C4'-P-C4' energy: -66.272
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -97.048
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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1017.016623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.016623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.016623 (E_RNA)
where:
Base-Base interactions energy: -723.708
where: short stacking energy: -302.198
Base-Backbone interact. energy: -0.914
local terms energy: -292.395039
where:
bonds (distance) C4'-P energy: -64.586
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -58.170
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -76.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -942.058412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.058412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.058412 (E_RNA)
where:
Base-Base interactions energy: -649.352
where: short stacking energy: -284.693
Base-Backbone interact. energy: 2.077
local terms energy: -294.783355
where:
bonds (distance) C4'-P energy: -55.494
bonds (distance) P-C4' energy: -58.584
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -45.601
tors. eta vs tors. theta energy: -77.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -900.342655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.342655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.342655 (E_RNA)
where:
Base-Base interactions energy: -613.453
where: short stacking energy: -271.924
Base-Backbone interact. energy: -0.549
local terms energy: -286.340191
where:
bonds (distance) C4'-P energy: -46.317
bonds (distance) P-C4' energy: -61.787
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -76.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -846.491097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.491097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.491097 (E_RNA)
where:
Base-Base interactions energy: -581.720
where: short stacking energy: -267.222
Base-Backbone interact. energy: -1.739
local terms energy: -263.032084
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -57.349
flat angles C4'-P-C4' energy: -58.584
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: -61.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -664.146933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.146933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.146933 (E_RNA)
where:
Base-Base interactions energy: -426.388
where: short stacking energy: -207.047
Base-Backbone interact. energy: -1.572
local terms energy: -236.186233
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -49.770
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -47.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -579.132730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.132730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.132730 (E_RNA)
where:
Base-Base interactions energy: -388.178
where: short stacking energy: -184.888
Base-Backbone interact. energy: 0.118
local terms energy: -191.072266
where:
bonds (distance) C4'-P energy: -41.178
bonds (distance) P-C4' energy: -41.662
flat angles C4'-P-C4' energy: -47.645
flat angles P-C4'-P energy: -28.153
tors. eta vs tors. theta energy: -32.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -403.527077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.527077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.527077 (E_RNA)
where:
Base-Base interactions energy: -208.016
where: short stacking energy: -99.549
Base-Backbone interact. energy: -0.872
local terms energy: -194.638763
where:
bonds (distance) C4'-P energy: -53.093
bonds (distance) P-C4' energy: -52.392
flat angles C4'-P-C4' energy: -43.844
flat angles P-C4'-P energy: -39.827
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1153.304730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.304730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.304730 (E_RNA)
where:
Base-Base interactions energy: -815.459
where: short stacking energy: -337.792
Base-Backbone interact. energy: -1.752
local terms energy: -336.093702
where:
bonds (distance) C4'-P energy: -64.291
bonds (distance) P-C4' energy: -67.104
flat angles C4'-P-C4' energy: -63.486
flat angles P-C4'-P energy: -46.139
tors. eta vs tors. theta energy: -95.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1068.070437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.070437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.070437 (E_RNA)
where:
Base-Base interactions energy: -735.539
where: short stacking energy: -311.463
Base-Backbone interact. energy: -1.246
local terms energy: -331.285374
where:
bonds (distance) C4'-P energy: -68.960
bonds (distance) P-C4' energy: -66.027
flat angles C4'-P-C4' energy: -67.349
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -88.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1075.608177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.608177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.608177 (E_RNA)
where:
Base-Base interactions energy: -753.506
where: short stacking energy: -326.162
Base-Backbone interact. energy: 0.320
local terms energy: -322.422288
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -59.597
flat angles C4'-P-C4' energy: -70.990
flat angles P-C4'-P energy: -45.363
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: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1013.725704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.725704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.725704 (E_RNA)
where:
Base-Base interactions energy: -714.936
where: short stacking energy: -286.293
Base-Backbone interact. energy: -2.560
local terms energy: -296.229051
where:
bonds (distance) C4'-P energy: -49.978
bonds (distance) P-C4' energy: -54.985
flat angles C4'-P-C4' energy: -71.269
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -75.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -926.608217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.608217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.608217 (E_RNA)
where:
Base-Base interactions energy: -642.252
where: short stacking energy: -258.835
Base-Backbone interact. energy: -0.781
local terms energy: -283.575595
where:
bonds (distance) C4'-P energy: -45.464
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -65.323
flat angles P-C4'-P energy: -37.465
tors. eta vs tors. theta energy: -75.777
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: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -883.178943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.178943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.178943 (E_RNA)
where:
Base-Base interactions energy: -615.449
where: short stacking energy: -271.299
Base-Backbone interact. energy: -1.341
local terms energy: -266.389395
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -46.222
flat angles C4'-P-C4' energy: -61.500
flat angles P-C4'-P energy: -41.742
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: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -855.807539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.807539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.807539 (E_RNA)
where:
Base-Base interactions energy: -578.350
where: short stacking energy: -265.266
Base-Backbone interact. energy: -0.439
local terms energy: -277.018404
where:
bonds (distance) C4'-P energy: -51.938
bonds (distance) P-C4' energy: -56.364
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -29.353
tors. eta vs tors. theta energy: -76.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -537.984965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.984965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.984965 (E_RNA)
where:
Base-Base interactions energy: -319.635
where: short stacking energy: -161.353
Base-Backbone interact. energy: -1.077
local terms energy: -217.273151
where:
bonds (distance) C4'-P energy: -57.763
bonds (distance) P-C4' energy: -42.674
flat angles C4'-P-C4' energy: -53.560
flat angles P-C4'-P energy: -39.030
tors. eta vs tors. theta energy: -24.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -609.405634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.405634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.405634 (E_RNA)
where:
Base-Base interactions energy: -404.293
where: short stacking energy: -186.853
Base-Backbone interact. energy: 1.234
local terms energy: -206.347024
where:
bonds (distance) C4'-P energy: -40.408
bonds (distance) P-C4' energy: -47.015
flat angles C4'-P-C4' energy: -43.045
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -38.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -387.071746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.071746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.071746 (E_RNA)
where:
Base-Base interactions energy: -192.914
where: short stacking energy: -114.070
Base-Backbone interact. energy: -1.252
local terms energy: -192.905399
where:
bonds (distance) C4'-P energy: -47.863
bonds (distance) P-C4' energy: -57.105
flat angles C4'-P-C4' energy: -48.506
flat angles P-C4'-P energy: -23.061
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1150.721843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.721843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.721843 (E_RNA)
where:
Base-Base interactions energy: -832.443
where: short stacking energy: -347.465
Base-Backbone interact. energy: -2.581
local terms energy: -315.697305
where:
bonds (distance) C4'-P energy: -51.757
bonds (distance) P-C4' energy: -60.196
flat angles C4'-P-C4' energy: -65.589
flat angles P-C4'-P energy: -43.052
tors. eta vs tors. theta energy: -95.104
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: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1084.797933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.797933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.797933 (E_RNA)
where:
Base-Base interactions energy: -769.656
where: short stacking energy: -330.380
Base-Backbone interact. energy: -0.496
local terms energy: -314.645771
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -56.932
flat angles C4'-P-C4' energy: -68.980
flat angles P-C4'-P energy: -43.063
tors. eta vs tors. theta energy: -97.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1062.730501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.730501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.730501 (E_RNA)
where:
Base-Base interactions energy: -743.557
where: short stacking energy: -323.661
Base-Backbone interact. energy: 1.204
local terms energy: -320.378335
where:
bonds (distance) C4'-P energy: -61.879
bonds (distance) P-C4' energy: -56.847
flat angles C4'-P-C4' energy: -65.136
flat angles P-C4'-P energy: -41.400
tors. eta vs tors. theta energy: -95.116
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: 210
Temperature: 1.050000
Total energy: -1013.212632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.212632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.212632 (E_RNA)
where:
Base-Base interactions energy: -695.554
where: short stacking energy: -301.318
Base-Backbone interact. energy: 0.890
local terms energy: -318.548711
where:
bonds (distance) C4'-P energy: -52.622
bonds (distance) P-C4' energy: -67.883
flat angles C4'-P-C4' energy: -57.747
flat angles P-C4'-P energy: -51.812
tors. eta vs tors. theta energy: -88.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -905.035342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.035342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.035342 (E_RNA)
where:
Base-Base interactions energy: -627.848
where: short stacking energy: -264.946
Base-Backbone interact. energy: -1.841
local terms energy: -275.346150
where:
bonds (distance) C4'-P energy: -54.679
bonds (distance) P-C4' energy: -57.595
flat angles C4'-P-C4' energy: -53.031
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -66.800
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: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -907.804709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.804709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.804709 (E_RNA)
where:
Base-Base interactions energy: -621.154
where: short stacking energy: -281.360
Base-Backbone interact. energy: -0.877
local terms energy: -285.773526
where:
bonds (distance) C4'-P energy: -52.390
bonds (distance) P-C4' energy: -58.293
flat angles C4'-P-C4' energy: -50.014
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -75.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -851.624118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.624118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.624118 (E_RNA)
where:
Base-Base interactions energy: -586.690
where: short stacking energy: -250.842
Base-Backbone interact. energy: -0.418
local terms energy: -264.517044
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -48.077
flat angles C4'-P-C4' energy: -54.217
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -62.148
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: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -599.296612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.296612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.296612 (E_RNA)
where:
Base-Base interactions energy: -364.468
where: short stacking energy: -165.755
Base-Backbone interact. energy: -1.935
local terms energy: -232.893606
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -46.542
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -44.703
tors. eta vs tors. theta energy: -37.673
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -602.841474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.841474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.841474 (E_RNA)
where:
Base-Base interactions energy: -386.910
where: short stacking energy: -181.840
Base-Backbone interact. energy: -0.681
local terms energy: -215.250385
where:
bonds (distance) C4'-P energy: -37.065
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -32.135
tors. eta vs tors. theta energy: -33.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -436.591649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.591649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.591649 (E_RNA)
where:
Base-Base interactions energy: -243.606
where: short stacking energy: -127.120
Base-Backbone interact. energy: -0.143
local terms energy: -192.842971
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -49.023
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -31.467
tors. eta vs tors. theta energy: -20.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1139.661499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.661499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.661499 (E_RNA)
where:
Base-Base interactions energy: -821.130
where: short stacking energy: -336.859
Base-Backbone interact. energy: -2.377
local terms energy: -316.155381
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -73.406
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -95.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1090.266822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.266822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.266822 (E_RNA)
where:
Base-Base interactions energy: -751.751
where: short stacking energy: -321.587
Base-Backbone interact. energy: -0.566
local terms energy: -337.950163
where:
bonds (distance) C4'-P energy: -62.250
bonds (distance) P-C4' energy: -68.008
flat angles C4'-P-C4' energy: -68.836
flat angles P-C4'-P energy: -44.683
tors. eta vs tors. theta energy: -94.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1074.598387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.598387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.598387 (E_RNA)
where:
Base-Base interactions energy: -766.019
where: short stacking energy: -329.273
Base-Backbone interact. energy: -0.258
local terms energy: -308.321308
where:
bonds (distance) C4'-P energy: -44.951
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -63.469
flat angles P-C4'-P energy: -39.706
tors. eta vs tors. theta energy: -101.695
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: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -999.962610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.962610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.962610 (E_RNA)
where:
Base-Base interactions energy: -697.524
where: short stacking energy: -313.913
Base-Backbone interact. energy: 0.075
local terms energy: -302.513515
where:
bonds (distance) C4'-P energy: -47.870
bonds (distance) P-C4' energy: -53.805
flat angles C4'-P-C4' energy: -67.822
flat angles P-C4'-P energy: -45.629
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: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -908.118721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.118721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.118721 (E_RNA)
where:
Base-Base interactions energy: -618.808
where: short stacking energy: -273.064
Base-Backbone interact. energy: 0.900
local terms energy: -290.210708
where:
bonds (distance) C4'-P energy: -48.725
bonds (distance) P-C4' energy: -59.554
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -80.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -889.937825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.937825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.937825 (E_RNA)
where:
Base-Base interactions energy: -613.889
where: short stacking energy: -286.916
Base-Backbone interact. energy: -0.365
local terms energy: -275.683368
where:
bonds (distance) C4'-P energy: -38.785
bonds (distance) P-C4' energy: -53.696
flat angles C4'-P-C4' energy: -69.290
flat angles P-C4'-P energy: -37.749
tors. eta vs tors. theta energy: -76.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -864.538075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.538075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.538075 (E_RNA)
where:
Base-Base interactions energy: -594.213
where: short stacking energy: -263.961
Base-Backbone interact. energy: -0.838
local terms energy: -269.487754
where:
bonds (distance) C4'-P energy: -56.164
bonds (distance) P-C4' energy: -38.901
flat angles C4'-P-C4' energy: -59.629
flat angles P-C4'-P energy: -38.554
tors. eta vs tors. theta energy: -76.240
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: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -642.197989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.197989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.197989 (E_RNA)
where:
Base-Base interactions energy: -409.935
where: short stacking energy: -184.093
Base-Backbone interact. energy: 1.136
local terms energy: -233.398967
where:
bonds (distance) C4'-P energy: -45.573
bonds (distance) P-C4' energy: -57.274
flat angles C4'-P-C4' energy: -55.882
flat angles P-C4'-P energy: -35.072
tors. eta vs tors. theta energy: -39.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -613.890991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.890991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.890991 (E_RNA)
where:
Base-Base interactions energy: -403.328
where: short stacking energy: -201.292
Base-Backbone interact. energy: -0.589
local terms energy: -209.974421
where:
bonds (distance) C4'-P energy: -43.288
bonds (distance) P-C4' energy: -45.563
flat angles C4'-P-C4' energy: -45.722
flat angles P-C4'-P energy: -37.376
tors. eta vs tors. theta energy: -38.025
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: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -412.870591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.870591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.870591 (E_RNA)
where:
Base-Base interactions energy: -217.840
where: short stacking energy: -116.613
Base-Backbone interact. energy: -1.876
local terms energy: -193.154394
where:
bonds (distance) C4'-P energy: -65.076
bonds (distance) P-C4' energy: -45.746
flat angles C4'-P-C4' energy: -40.187
flat angles P-C4'-P energy: -30.047
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1148.273909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.273909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.273909 (E_RNA)
where:
Base-Base interactions energy: -828.898
where: short stacking energy: -342.036
Base-Backbone interact. energy: -1.076
local terms energy: -318.300064
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -67.363
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -95.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1080.755622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.755622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.755622 (E_RNA)
where:
Base-Base interactions energy: -755.533
where: short stacking energy: -329.674
Base-Backbone interact. energy: -0.563
local terms energy: -324.659025
where:
bonds (distance) C4'-P energy: -58.771
bonds (distance) P-C4' energy: -66.044
flat angles C4'-P-C4' energy: -71.301
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -89.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1061.631059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.631059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.631059 (E_RNA)
where:
Base-Base interactions energy: -744.426
where: short stacking energy: -323.351
Base-Backbone interact. energy: -0.862
local terms energy: -316.342525
where:
bonds (distance) C4'-P energy: -58.252
bonds (distance) P-C4' energy: -55.512
flat angles C4'-P-C4' energy: -62.869
flat angles P-C4'-P energy: -41.015
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: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1001.600266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.600266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.600266 (E_RNA)
where:
Base-Base interactions energy: -690.562
where: short stacking energy: -304.074
Base-Backbone interact. energy: -1.591
local terms energy: -309.447279
where:
bonds (distance) C4'-P energy: -51.155
bonds (distance) P-C4' energy: -68.078
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -45.001
tors. eta vs tors. theta energy: -80.232
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: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -940.538669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.538669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.538669 (E_RNA)
where:
Base-Base interactions energy: -653.768
where: short stacking energy: -291.914
Base-Backbone interact. energy: -1.168
local terms energy: -285.603268
where:
bonds (distance) C4'-P energy: -47.418
bonds (distance) P-C4' energy: -52.068
flat angles C4'-P-C4' energy: -63.748
flat angles P-C4'-P energy: -45.089
tors. eta vs tors. theta energy: -77.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -892.249155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.249155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.249155 (E_RNA)
where:
Base-Base interactions energy: -603.255
where: short stacking energy: -263.028
Base-Backbone interact. energy: -0.060
local terms energy: -288.934068
where:
bonds (distance) C4'-P energy: -59.670
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -39.629
tors. eta vs tors. theta energy: -73.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -856.300805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.300805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.300805 (E_RNA)
where:
Base-Base interactions energy: -588.646
where: short stacking energy: -268.265
Base-Backbone interact. energy: -1.421
local terms energy: -266.233614
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -50.170
flat angles C4'-P-C4' energy: -51.898
flat angles P-C4'-P energy: -35.635
tors. eta vs tors. theta energy: -72.925
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: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -628.092750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.092750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.092750 (E_RNA)
where:
Base-Base interactions energy: -408.659
where: short stacking energy: -194.028
Base-Backbone interact. energy: 3.308
local terms energy: -222.742510
where:
bonds (distance) C4'-P energy: -42.232
bonds (distance) P-C4' energy: -59.542
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -37.837
tors. eta vs tors. theta energy: -34.025
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: 4
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -569.762510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.762510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.762510 (E_RNA)
where:
Base-Base interactions energy: -371.370
where: short stacking energy: -175.756
Base-Backbone interact. energy: 0.700
local terms energy: -199.092892
where:
bonds (distance) C4'-P energy: -38.467
bonds (distance) P-C4' energy: -43.259
flat angles C4'-P-C4' energy: -52.227
flat angles P-C4'-P energy: -31.637
tors. eta vs tors. theta energy: -33.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -402.776209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.776209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.776209 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -110.662
Base-Backbone interact. energy: -0.763
local terms energy: -166.056861
where:
bonds (distance) C4'-P energy: -46.640
bonds (distance) P-C4' energy: -56.297
flat angles C4'-P-C4' energy: -44.013
flat angles P-C4'-P energy: -18.616
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1165.136565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.136565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.136565 (E_RNA)
where:
Base-Base interactions energy: -830.668
where: short stacking energy: -353.533
Base-Backbone interact. energy: -1.682
local terms energy: -332.787336
where:
bonds (distance) C4'-P energy: -62.465
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -65.928
flat angles P-C4'-P energy: -46.973
tors. eta vs tors. theta energy: -98.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1110.826117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.826117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.826117 (E_RNA)
where:
Base-Base interactions energy: -784.962
where: short stacking energy: -354.526
Base-Backbone interact. energy: -1.535
local terms energy: -324.329224
where:
bonds (distance) C4'-P energy: -60.793
bonds (distance) P-C4' energy: -58.188
flat angles C4'-P-C4' energy: -68.011
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -100.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1088.542034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.542034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.542034 (E_RNA)
where:
Base-Base interactions energy: -764.216
where: short stacking energy: -327.810
Base-Backbone interact. energy: -0.822
local terms energy: -323.504491
where:
bonds (distance) C4'-P energy: -70.136
bonds (distance) P-C4' energy: -63.068
flat angles C4'-P-C4' energy: -64.787
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -91.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -979.242319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.242319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.242319 (E_RNA)
where:
Base-Base interactions energy: -678.315
where: short stacking energy: -290.566
Base-Backbone interact. energy: -1.768
local terms energy: -299.158473
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -58.346
flat angles C4'-P-C4' energy: -66.013
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: -80.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -906.900754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.900754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.900754 (E_RNA)
where:
Base-Base interactions energy: -598.068
where: short stacking energy: -277.482
Base-Backbone interact. energy: -0.205
local terms energy: -308.627310
where:
bonds (distance) C4'-P energy: -60.239
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -43.080
tors. eta vs tors. theta energy: -80.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -895.291412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.291412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.291412 (E_RNA)
where:
Base-Base interactions energy: -605.157
where: short stacking energy: -269.796
Base-Backbone interact. energy: 0.458
local terms energy: -290.592780
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -62.973
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -71.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -879.924187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.924187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.924187 (E_RNA)
where:
Base-Base interactions energy: -596.488
where: short stacking energy: -267.563
Base-Backbone interact. energy: -0.584
local terms energy: -282.852460
where:
bonds (distance) C4'-P energy: -46.794
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -59.063
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -80.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -674.541782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.541782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.541782 (E_RNA)
where:
Base-Base interactions energy: -446.476
where: short stacking energy: -224.036
Base-Backbone interact. energy: 4.073
local terms energy: -232.138427
where:
bonds (distance) C4'-P energy: -51.047
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -42.345
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -54.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -547.753330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.753330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.753330 (E_RNA)
where:
Base-Base interactions energy: -342.370
where: short stacking energy: -158.682
Base-Backbone interact. energy: 0.825
local terms energy: -206.208237
where:
bonds (distance) C4'-P energy: -49.680
bonds (distance) P-C4' energy: -50.042
flat angles C4'-P-C4' energy: -51.100
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -412.602890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.602890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.602890 (E_RNA)
where:
Base-Base interactions energy: -215.087
where: short stacking energy: -114.340
Base-Backbone interact. energy: -1.142
local terms energy: -196.374440
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -59.145
flat angles C4'-P-C4' energy: -47.307
flat angles P-C4'-P energy: -23.828
tors. eta vs tors. theta energy: -6.332
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: 1, replica: 1
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1168.892718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.892718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.892718 (E_RNA)
where:
Base-Base interactions energy: -831.281
where: short stacking energy: -342.568
Base-Backbone interact. energy: -5.298
local terms energy: -332.312810
where:
bonds (distance) C4'-P energy: -59.241
bonds (distance) P-C4' energy: -55.412
flat angles C4'-P-C4' energy: -72.698
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -100.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1113.864486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.864486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.864486 (E_RNA)
where:
Base-Base interactions energy: -777.711
where: short stacking energy: -334.465
Base-Backbone interact. energy: -1.216
local terms energy: -334.937257
where:
bonds (distance) C4'-P energy: -60.070
bonds (distance) P-C4' energy: -67.196
flat angles C4'-P-C4' energy: -69.711
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -95.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1065.248466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.248466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.248466 (E_RNA)
where:
Base-Base interactions energy: -745.003
where: short stacking energy: -311.958
Base-Backbone interact. energy: -0.430
local terms energy: -319.814724
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -70.916
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -89.726
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: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1011.924530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.924530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.924530 (E_RNA)
where:
Base-Base interactions energy: -702.355
where: short stacking energy: -296.395
Base-Backbone interact. energy: -1.225
local terms energy: -308.344158
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -64.126
flat angles C4'-P-C4' energy: -61.610
flat angles P-C4'-P energy: -35.769
tors. eta vs tors. theta energy: -85.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -935.422665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.422665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.422665 (E_RNA)
where:
Base-Base interactions energy: -640.122
where: short stacking energy: -280.635
Base-Backbone interact. energy: -2.401
local terms energy: -292.899751
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -68.402
flat angles P-C4'-P energy: -47.104
tors. eta vs tors. theta energy: -72.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -909.048734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.048734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.048734 (E_RNA)
where:
Base-Base interactions energy: -618.966
where: short stacking energy: -270.249
Base-Backbone interact. energy: -0.960
local terms energy: -289.122140
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -64.142
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -74.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -872.472761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.472761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.472761 (E_RNA)
where:
Base-Base interactions energy: -601.909
where: short stacking energy: -281.988
Base-Backbone interact. energy: -1.360
local terms energy: -269.203242
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -52.946
flat angles C4'-P-C4' energy: -61.616
flat angles P-C4'-P energy: -32.409
tors. eta vs tors. theta energy: -74.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -688.705962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.705962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.705962 (E_RNA)
where:
Base-Base interactions energy: -463.551
where: short stacking energy: -227.600
Base-Backbone interact. energy: 0.425
local terms energy: -225.580215
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -47.303
flat angles C4'-P-C4' energy: -55.209
flat angles P-C4'-P energy: -40.209
tors. eta vs tors. theta energy: -49.480
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: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -535.546943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.546943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.546943 (E_RNA)
where:
Base-Base interactions energy: -325.520
where: short stacking energy: -147.355
Base-Backbone interact. energy: -2.416
local terms energy: -207.610853
where:
bonds (distance) C4'-P energy: -65.106
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -40.852
flat angles P-C4'-P energy: -32.625
tors. eta vs tors. theta energy: -17.654
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: 214
Temperature: 1.350000
Total energy: -403.989636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.989636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.989636 (E_RNA)
where:
Base-Base interactions energy: -246.678
where: short stacking energy: -138.624
Base-Backbone interact. energy: -0.925
local terms energy: -156.385767
where:
bonds (distance) C4'-P energy: -49.306
bonds (distance) P-C4' energy: -39.337
flat angles C4'-P-C4' energy: -36.811
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1161.583770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.583770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.583770 (E_RNA)
where:
Base-Base interactions energy: -828.728
where: short stacking energy: -342.293
Base-Backbone interact. energy: -3.558
local terms energy: -329.298406
where:
bonds (distance) C4'-P energy: -54.572
bonds (distance) P-C4' energy: -65.889
flat angles C4'-P-C4' energy: -67.438
flat angles P-C4'-P energy: -40.670
tors. eta vs tors. theta energy: -100.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1080.177114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.177114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.177114 (E_RNA)
where:
Base-Base interactions energy: -745.522
where: short stacking energy: -335.140
Base-Backbone interact. energy: -2.989
local terms energy: -331.666147
where:
bonds (distance) C4'-P energy: -61.996
bonds (distance) P-C4' energy: -59.317
flat angles C4'-P-C4' energy: -71.720
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -97.900
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: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1065.119107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.119107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.119107 (E_RNA)
where:
Base-Base interactions energy: -749.184
where: short stacking energy: -310.503
Base-Backbone interact. energy: -2.012
local terms energy: -313.923102
where:
bonds (distance) C4'-P energy: -54.484
bonds (distance) P-C4' energy: -66.433
flat angles C4'-P-C4' energy: -63.616
flat angles P-C4'-P energy: -43.994
tors. eta vs tors. theta energy: -85.396
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: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1006.788668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.788668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.788668 (E_RNA)
where:
Base-Base interactions energy: -686.145
where: short stacking energy: -287.476
Base-Backbone interact. energy: -0.802
local terms energy: -319.841138
where:
bonds (distance) C4'-P energy: -61.181
bonds (distance) P-C4' energy: -59.563
flat angles C4'-P-C4' energy: -69.792
flat angles P-C4'-P energy: -42.377
tors. eta vs tors. theta energy: -86.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -908.602340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.602340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.602340 (E_RNA)
where:
Base-Base interactions energy: -629.434
where: short stacking energy: -287.961
Base-Backbone interact. energy: -2.912
local terms energy: -276.256074
where:
bonds (distance) C4'-P energy: -47.042
bonds (distance) P-C4' energy: -58.339
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -45.201
tors. eta vs tors. theta energy: -72.232
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: 6, replica: 9
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -901.978949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.978949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.978949 (E_RNA)
where:
Base-Base interactions energy: -617.539
where: short stacking energy: -277.173
Base-Backbone interact. energy: -1.108
local terms energy: -283.331701
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -42.983
flat angles C4'-P-C4' energy: -62.396
flat angles P-C4'-P energy: -40.055
tors. eta vs tors. theta energy: -75.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -875.770714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.770714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.770714 (E_RNA)
where:
Base-Base interactions energy: -609.400
where: short stacking energy: -269.798
Base-Backbone interact. energy: -1.432
local terms energy: -264.938562
where:
bonds (distance) C4'-P energy: -51.975
bonds (distance) P-C4' energy: -40.493
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -31.460
tors. eta vs tors. theta energy: -74.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -652.635974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.635974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.635974 (E_RNA)
where:
Base-Base interactions energy: -430.591
where: short stacking energy: -192.718
Base-Backbone interact. energy: -1.184
local terms energy: -220.860323
where:
bonds (distance) C4'-P energy: -38.964
bonds (distance) P-C4' energy: -53.762
flat angles C4'-P-C4' energy: -52.727
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -45.317
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: 9, replica: 4
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -542.184188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.184188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.184188 (E_RNA)
where:
Base-Base interactions energy: -312.498
where: short stacking energy: -154.845
Base-Backbone interact. energy: -0.586
local terms energy: -229.100035
where:
bonds (distance) C4'-P energy: -52.004
bonds (distance) P-C4' energy: -60.686
flat angles C4'-P-C4' energy: -51.386
flat angles P-C4'-P energy: -30.578
tors. eta vs tors. theta energy: -34.446
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -429.296879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.296879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.296879 (E_RNA)
where:
Base-Base interactions energy: -238.357
where: short stacking energy: -120.651
Base-Backbone interact. energy: 0.446
local terms energy: -191.385826
where:
bonds (distance) C4'-P energy: -45.913
bonds (distance) P-C4' energy: -46.030
flat angles C4'-P-C4' energy: -42.266
flat angles P-C4'-P energy: -35.205
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1154.373317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.373317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.373317 (E_RNA)
where:
Base-Base interactions energy: -825.707
where: short stacking energy: -337.175
Base-Backbone interact. energy: -1.188
local terms energy: -327.478667
where:
bonds (distance) C4'-P energy: -47.051
bonds (distance) P-C4' energy: -63.961
flat angles C4'-P-C4' energy: -69.009
flat angles P-C4'-P energy: -47.088
tors. eta vs tors. theta energy: -100.369
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: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1096.590157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.590157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.590157 (E_RNA)
where:
Base-Base interactions energy: -756.836
where: short stacking energy: -336.170
Base-Backbone interact. energy: -0.725
local terms energy: -339.029594
where:
bonds (distance) C4'-P energy: -68.448
bonds (distance) P-C4' energy: -53.001
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -100.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1066.045696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.045696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.045696 (E_RNA)
where:
Base-Base interactions energy: -738.882
where: short stacking energy: -341.838
Base-Backbone interact. energy: -2.459
local terms energy: -324.705095
where:
bonds (distance) C4'-P energy: -58.405
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -63.056
flat angles P-C4'-P energy: -46.394
tors. eta vs tors. theta energy: -95.253
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: 216
Temperature: 1.050000
Total energy: -1016.371259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.371259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.371259 (E_RNA)
where:
Base-Base interactions energy: -698.948
where: short stacking energy: -305.673
Base-Backbone interact. energy: -1.674
local terms energy: -315.748600
where:
bonds (distance) C4'-P energy: -52.538
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -58.649
flat angles P-C4'-P energy: -45.842
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: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -932.859813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.859813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.859813 (E_RNA)
where:
Base-Base interactions energy: -623.751
where: short stacking energy: -265.783
Base-Backbone interact. energy: -1.812
local terms energy: -307.296397
where:
bonds (distance) C4'-P energy: -59.877
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -64.599
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -73.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -881.582906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.582906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.582906 (E_RNA)
where:
Base-Base interactions energy: -601.768
where: short stacking energy: -269.945
Base-Backbone interact. energy: -0.273
local terms energy: -279.542229
where:
bonds (distance) C4'-P energy: -59.584
bonds (distance) P-C4' energy: -55.348
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -42.422
tors. eta vs tors. theta energy: -69.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -810.931649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.931649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.931649 (E_RNA)
where:
Base-Base interactions energy: -549.829
where: short stacking energy: -228.656
Base-Backbone interact. energy: -0.863
local terms energy: -260.239800
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -55.178
flat angles C4'-P-C4' energy: -56.029
flat angles P-C4'-P energy: -44.720
tors. eta vs tors. theta energy: -59.119
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: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -645.406661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.406661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.406661 (E_RNA)
where:
Base-Base interactions energy: -411.529
where: short stacking energy: -205.430
Base-Backbone interact. energy: 0.218
local terms energy: -234.095426
where:
bonds (distance) C4'-P energy: -50.457
bonds (distance) P-C4' energy: -47.871
flat angles C4'-P-C4' energy: -58.416
flat angles P-C4'-P energy: -33.303
tors. eta vs tors. theta energy: -44.049
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: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -582.390501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.390501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.390501 (E_RNA)
where:
Base-Base interactions energy: -362.587
where: short stacking energy: -182.676
Base-Backbone interact. energy: -1.984
local terms energy: -217.819576
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -49.032
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -26.825
tors. eta vs tors. theta energy: -40.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -417.916572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.916572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.916572 (E_RNA)
where:
Base-Base interactions energy: -241.272
where: short stacking energy: -134.499
Base-Backbone interact. energy: -0.961
local terms energy: -175.683604
where:
bonds (distance) C4'-P energy: -50.190
bonds (distance) P-C4' energy: -43.586
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1159.614679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.614679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.614679 (E_RNA)
where:
Base-Base interactions energy: -830.001
where: short stacking energy: -345.014
Base-Backbone interact. energy: -2.096
local terms energy: -327.517625
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -64.739
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -101.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1095.403030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.403030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.403030 (E_RNA)
where:
Base-Base interactions energy: -764.406
where: short stacking energy: -347.073
Base-Backbone interact. energy: -0.997
local terms energy: -330.000086
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -55.816
flat angles C4'-P-C4' energy: -69.657
flat angles P-C4'-P energy: -47.345
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: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1075.426017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.426017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.426017 (E_RNA)
where:
Base-Base interactions energy: -774.217
where: short stacking energy: -316.232
Base-Backbone interact. energy: -1.758
local terms energy: -299.451708
where:
bonds (distance) C4'-P energy: -53.026
bonds (distance) P-C4' energy: -52.493
flat angles C4'-P-C4' energy: -67.660
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -87.049
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: 217
Temperature: 1.050000
Total energy: -1013.510398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.510398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.510398 (E_RNA)
where:
Base-Base interactions energy: -712.739
where: short stacking energy: -322.782
Base-Backbone interact. energy: -0.634
local terms energy: -300.137459
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -49.137
flat angles C4'-P-C4' energy: -62.109
flat angles P-C4'-P energy: -44.039
tors. eta vs tors. theta energy: -89.642
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: 9
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -921.065836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.065836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.065836 (E_RNA)
where:
Base-Base interactions energy: -630.667
where: short stacking energy: -275.507
Base-Backbone interact. energy: -1.173
local terms energy: -289.225959
where:
bonds (distance) C4'-P energy: -51.944
bonds (distance) P-C4' energy: -53.307
flat angles C4'-P-C4' energy: -65.613
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -71.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -893.996310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.996310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.996310 (E_RNA)
where:
Base-Base interactions energy: -596.930
where: short stacking energy: -272.529
Base-Backbone interact. energy: -0.079
local terms energy: -296.987616
where:
bonds (distance) C4'-P energy: -61.471
bonds (distance) P-C4' energy: -62.888
flat angles C4'-P-C4' energy: -62.181
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -68.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -797.964975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.964975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.964975 (E_RNA)
where:
Base-Base interactions energy: -565.270
where: short stacking energy: -250.112
Base-Backbone interact. energy: -0.365
local terms energy: -232.330258
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -45.606
flat angles P-C4'-P energy: -30.893
tors. eta vs tors. theta energy: -61.141
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -670.825566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.825566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.825566 (E_RNA)
where:
Base-Base interactions energy: -447.697
where: short stacking energy: -196.872
Base-Backbone interact. energy: 5.906
local terms energy: -229.035511
where:
bonds (distance) C4'-P energy: -44.588
bonds (distance) P-C4' energy: -56.661
flat angles C4'-P-C4' energy: -56.480
flat angles P-C4'-P energy: -35.742
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: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -518.380541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.380541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.380541 (E_RNA)
where:
Base-Base interactions energy: -312.345
where: short stacking energy: -154.790
Base-Backbone interact. energy: -0.795
local terms energy: -205.240091
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -52.859
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -29.827
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: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -430.333489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.333489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.333489 (E_RNA)
where:
Base-Base interactions energy: -218.775
where: short stacking energy: -111.023
Base-Backbone interact. energy: -0.750
local terms energy: -210.808384
where:
bonds (distance) C4'-P energy: -52.795
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1170.673861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.673861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.673861 (E_RNA)
where:
Base-Base interactions energy: -830.871
where: short stacking energy: -353.473
Base-Backbone interact. energy: -0.889
local terms energy: -338.914455
where:
bonds (distance) C4'-P energy: -59.377
bonds (distance) P-C4' energy: -61.089
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -53.515
tors. eta vs tors. theta energy: -99.654
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: 2, replica: 6
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1086.123045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.123045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.123045 (E_RNA)
where:
Base-Base interactions energy: -760.344
where: short stacking energy: -328.409
Base-Backbone interact. energy: -0.851
local terms energy: -324.927807
where:
bonds (distance) C4'-P energy: -61.507
bonds (distance) P-C4' energy: -54.625
flat angles C4'-P-C4' energy: -65.424
flat angles P-C4'-P energy: -47.476
tors. eta vs tors. theta energy: -95.896
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: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1105.969590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.969590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.969590 (E_RNA)
where:
Base-Base interactions energy: -773.730
where: short stacking energy: -345.760
Base-Backbone interact. energy: -0.926
local terms energy: -331.313805
where:
bonds (distance) C4'-P energy: -67.202
bonds (distance) P-C4' energy: -59.936
flat angles C4'-P-C4' energy: -67.838
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -94.317
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: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1002.189121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.189121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.189121 (E_RNA)
where:
Base-Base interactions energy: -703.950
where: short stacking energy: -308.150
Base-Backbone interact. energy: -1.584
local terms energy: -296.655681
where:
bonds (distance) C4'-P energy: -50.820
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -64.626
flat angles P-C4'-P energy: -40.481
tors. eta vs tors. theta energy: -79.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -920.499824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.499824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.499824 (E_RNA)
where:
Base-Base interactions energy: -642.484
where: short stacking energy: -282.207
Base-Backbone interact. energy: -0.599
local terms energy: -277.417076
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -56.239
flat angles C4'-P-C4' energy: -61.569
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -70.369
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: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -864.568659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.568659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.568659 (E_RNA)
where:
Base-Base interactions energy: -585.746
where: short stacking energy: -263.296
Base-Backbone interact. energy: 0.118
local terms energy: -278.941127
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -52.769
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -39.557
tors. eta vs tors. theta energy: -65.902
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -803.959393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.959393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.959393 (E_RNA)
where:
Base-Base interactions energy: -561.117
where: short stacking energy: -233.904
Base-Backbone interact. energy: -0.698
local terms energy: -242.143873
where:
bonds (distance) C4'-P energy: -44.105
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -53.282
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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -682.073009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.073009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.073009 (E_RNA)
where:
Base-Base interactions energy: -435.989
where: short stacking energy: -190.857
Base-Backbone interact. energy: 1.513
local terms energy: -247.597076
where:
bonds (distance) C4'-P energy: -55.591
bonds (distance) P-C4' energy: -55.870
flat angles C4'-P-C4' energy: -60.848
flat angles P-C4'-P energy: -30.637
tors. eta vs tors. theta energy: -44.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -498.588292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.588292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.588292 (E_RNA)
where:
Base-Base interactions energy: -308.028
where: short stacking energy: -161.395
Base-Backbone interact. energy: 4.330
local terms energy: -194.889992
where:
bonds (distance) C4'-P energy: -41.346
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -54.075
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -32.814
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: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -438.498963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.498963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.498963 (E_RNA)
where:
Base-Base interactions energy: -259.440
where: short stacking energy: -138.339
Base-Backbone interact. energy: -1.827
local terms energy: -177.232392
where:
bonds (distance) C4'-P energy: -40.225
bonds (distance) P-C4' energy: -44.860
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -26.850
tors. eta vs tors. theta energy: -15.957
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: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1175.491841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.491841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.491841 (E_RNA)
where:
Base-Base interactions energy: -832.658
where: short stacking energy: -355.795
Base-Backbone interact. energy: -0.664
local terms energy: -342.169780
where:
bonds (distance) C4'-P energy: -67.473
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -72.513
flat angles P-C4'-P energy: -37.596
tors. eta vs tors. theta energy: -101.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1097.389872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.389872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.389872 (E_RNA)
where:
Base-Base interactions energy: -757.888
where: short stacking energy: -335.557
Base-Backbone interact. energy: -0.131
local terms energy: -339.370823
where:
bonds (distance) C4'-P energy: -59.922
bonds (distance) P-C4' energy: -69.210
flat angles C4'-P-C4' energy: -70.913
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -91.494
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: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1097.190395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.190395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.190395 (E_RNA)
where:
Base-Base interactions energy: -784.910
where: short stacking energy: -333.664
Base-Backbone interact. energy: -2.348
local terms energy: -309.931870
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -64.915
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -89.286
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: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -986.686487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.686487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.686487 (E_RNA)
where:
Base-Base interactions energy: -708.171
where: short stacking energy: -321.219
Base-Backbone interact. energy: 2.743
local terms energy: -281.259076
where:
bonds (distance) C4'-P energy: -38.893
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: -88.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -933.338413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.338413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.338413 (E_RNA)
where:
Base-Base interactions energy: -631.237
where: short stacking energy: -287.297
Base-Backbone interact. energy: 0.582
local terms energy: -302.683118
where:
bonds (distance) C4'-P energy: -56.987
bonds (distance) P-C4' energy: -56.121
flat angles C4'-P-C4' energy: -63.488
flat angles P-C4'-P energy: -48.004
tors. eta vs tors. theta energy: -78.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -898.206277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.206277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.206277 (E_RNA)
where:
Base-Base interactions energy: -634.392
where: short stacking energy: -280.037
Base-Backbone interact. energy: -0.177
local terms energy: -263.636957
where:
bonds (distance) C4'-P energy: -51.808
bonds (distance) P-C4' energy: -61.005
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: -60.742
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: 219
Temperature: 1.200000
Total energy: -772.812599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.812599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.812599 (E_RNA)
where:
Base-Base interactions energy: -506.190
where: short stacking energy: -221.430
Base-Backbone interact. energy: 2.820
local terms energy: -269.442662
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -58.287
flat angles C4'-P-C4' energy: -56.332
flat angles P-C4'-P energy: -38.420
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: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -630.041439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.041439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.041439 (E_RNA)
where:
Base-Base interactions energy: -396.667
where: short stacking energy: -197.404
Base-Backbone interact. energy: -2.165
local terms energy: -231.209351
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -53.028
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -40.890
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: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -578.772255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.772255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.772255 (E_RNA)
where:
Base-Base interactions energy: -376.915
where: short stacking energy: -186.119
Base-Backbone interact. energy: -1.789
local terms energy: -200.068125
where:
bonds (distance) C4'-P energy: -53.688
bonds (distance) P-C4' energy: -46.570
flat angles C4'-P-C4' energy: -34.915
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -36.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -419.321574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.321574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.321574 (E_RNA)
where:
Base-Base interactions energy: -241.407
where: short stacking energy: -117.421
Base-Backbone interact. energy: -0.587
local terms energy: -177.327575
where:
bonds (distance) C4'-P energy: -45.181
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -53.181
flat angles P-C4'-P energy: -26.359
tors. eta vs tors. theta energy: -0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1163.422452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.422452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.422452 (E_RNA)
where:
Base-Base interactions energy: -824.285
where: short stacking energy: -342.388
Base-Backbone interact. energy: -2.632
local terms energy: -336.505114
where:
bonds (distance) C4'-P energy: -63.193
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -65.255
flat angles P-C4'-P energy: -46.431
tors. eta vs tors. theta energy: -97.533
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: 6
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1118.540357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.540357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.540357 (E_RNA)
where:
Base-Base interactions energy: -781.151
where: short stacking energy: -347.734
Base-Backbone interact. energy: -2.979
local terms energy: -334.410468
where:
bonds (distance) C4'-P energy: -61.715
bonds (distance) P-C4' energy: -58.693
flat angles C4'-P-C4' energy: -69.077
flat angles P-C4'-P energy: -51.381
tors. eta vs tors. theta energy: -93.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1081.206596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.206596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.206596 (E_RNA)
where:
Base-Base interactions energy: -776.088
where: short stacking energy: -323.654
Base-Backbone interact. energy: -1.266
local terms energy: -303.852579
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -61.795
flat angles C4'-P-C4' energy: -63.978
flat angles P-C4'-P energy: -43.278
tors. eta vs tors. theta energy: -87.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1012.584728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.584728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.584728 (E_RNA)
where:
Base-Base interactions energy: -732.446
where: short stacking energy: -317.015
Base-Backbone interact. energy: -1.614
local terms energy: -278.524666
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -49.513
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -87.123
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: 9
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -940.499976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.499976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.499976 (E_RNA)
where:
Base-Base interactions energy: -626.742
where: short stacking energy: -281.121
Base-Backbone interact. energy: -1.334
local terms energy: -312.424100
where:
bonds (distance) C4'-P energy: -56.836
bonds (distance) P-C4' energy: -55.779
flat angles C4'-P-C4' energy: -61.779
flat angles P-C4'-P energy: -51.264
tors. eta vs tors. theta energy: -86.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -882.373301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.373301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.373301 (E_RNA)
where:
Base-Base interactions energy: -599.968
where: short stacking energy: -262.197
Base-Backbone interact. energy: -2.864
local terms energy: -279.541743
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -62.684
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -36.097
tors. eta vs tors. theta energy: -67.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -778.517872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.517872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.517872 (E_RNA)
where:
Base-Base interactions energy: -529.584
where: short stacking energy: -229.221
Base-Backbone interact. energy: -2.561
local terms energy: -246.373097
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -62.254
flat angles C4'-P-C4' energy: -54.075
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -53.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -619.941974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.941974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.941974 (E_RNA)
where:
Base-Base interactions energy: -386.841
where: short stacking energy: -185.169
Base-Backbone interact. energy: 1.376
local terms energy: -234.476690
where:
bonds (distance) C4'-P energy: -52.815
bonds (distance) P-C4' energy: -61.088
flat angles C4'-P-C4' energy: -46.723
flat angles P-C4'-P energy: -31.317
tors. eta vs tors. theta energy: -42.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -595.425105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.425105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.425105 (E_RNA)
where:
Base-Base interactions energy: -380.538
where: short stacking energy: -185.053
Base-Backbone interact. energy: -0.920
local terms energy: -213.966949
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -48.996
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -21.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -424.580194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.580194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.580194 (E_RNA)
where:
Base-Base interactions energy: -246.654
where: short stacking energy: -106.344
Base-Backbone interact. energy: 8.119
local terms energy: -186.045032
where:
bonds (distance) C4'-P energy: -39.109
bonds (distance) P-C4' energy: -54.848
flat angles C4'-P-C4' energy: -45.755
flat angles P-C4'-P energy: -39.149
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: 1
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1154.319132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.319132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.319132 (E_RNA)
where:
Base-Base interactions energy: -828.074
where: short stacking energy: -344.330
Base-Backbone interact. energy: -1.457
local terms energy: -324.787937
where:
bonds (distance) C4'-P energy: -61.014
bonds (distance) P-C4' energy: -54.607
flat angles C4'-P-C4' energy: -68.716
flat angles P-C4'-P energy: -44.027
tors. eta vs tors. theta energy: -96.424
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: 3
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1087.997118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.997118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.997118 (E_RNA)
where:
Base-Base interactions energy: -776.026
where: short stacking energy: -328.734
Base-Backbone interact. energy: -3.453
local terms energy: -308.517650
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -63.807
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -37.449
tors. eta vs tors. theta energy: -85.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1080.726371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.726371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.726371 (E_RNA)
where:
Base-Base interactions energy: -770.463
where: short stacking energy: -348.020
Base-Backbone interact. energy: 0.931
local terms energy: -311.193509
where:
bonds (distance) C4'-P energy: -43.759
bonds (distance) P-C4' energy: -56.773
flat angles C4'-P-C4' energy: -68.688
flat angles P-C4'-P energy: -40.030
tors. eta vs tors. theta energy: -101.944
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: 221
Temperature: 1.050000
Total energy: -1042.149199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.149199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.149199 (E_RNA)
where:
Base-Base interactions energy: -727.142
where: short stacking energy: -316.784
Base-Backbone interact. energy: -0.615
local terms energy: -314.391639
where:
bonds (distance) C4'-P energy: -54.635
bonds (distance) P-C4' energy: -56.572
flat angles C4'-P-C4' energy: -64.103
flat angles P-C4'-P energy: -41.863
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: 9
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -928.412752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.412752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.412752 (E_RNA)
where:
Base-Base interactions energy: -629.039
where: short stacking energy: -285.056
Base-Backbone interact. energy: -1.049
local terms energy: -298.324699
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -65.756
flat angles C4'-P-C4' energy: -58.962
flat angles P-C4'-P energy: -36.673
tors. eta vs tors. theta energy: -79.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -867.641009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.641009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.641009 (E_RNA)
where:
Base-Base interactions energy: -598.271
where: short stacking energy: -266.721
Base-Backbone interact. energy: -1.052
local terms energy: -268.318204
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -47.174
flat angles C4'-P-C4' energy: -65.432
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -66.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -827.439012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.439012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.439012 (E_RNA)
where:
Base-Base interactions energy: -551.229
where: short stacking energy: -249.394
Base-Backbone interact. energy: 0.082
local terms energy: -276.292036
where:
bonds (distance) C4'-P energy: -59.154
bonds (distance) P-C4' energy: -48.607
flat angles C4'-P-C4' energy: -66.168
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -66.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -577.342236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.342236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.342236 (E_RNA)
where:
Base-Base interactions energy: -332.439
where: short stacking energy: -169.392
Base-Backbone interact. energy: 1.112
local terms energy: -246.015345
where:
bonds (distance) C4'-P energy: -57.556
bonds (distance) P-C4' energy: -57.981
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -30.162
tors. eta vs tors. theta energy: -41.049
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: 9, replica: 4
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -580.566424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.566424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.566424 (E_RNA)
where:
Base-Base interactions energy: -374.069
where: short stacking energy: -170.120
Base-Backbone interact. energy: -0.031
local terms energy: -206.467244
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -50.061
flat angles C4'-P-C4' energy: -33.987
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: -36.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -445.045533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.045533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.045533 (E_RNA)
where:
Base-Base interactions energy: -248.728
where: short stacking energy: -124.894
Base-Backbone interact. energy: -0.850
local terms energy: -195.467366
where:
bonds (distance) C4'-P energy: -43.785
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -18.969
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1139.522668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.522668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.522668 (E_RNA)
where:
Base-Base interactions energy: -811.566
where: short stacking energy: -342.215
Base-Backbone interact. energy: -0.752
local terms energy: -327.204425
where:
bonds (distance) C4'-P energy: -61.652
bonds (distance) P-C4' energy: -63.005
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -47.248
tors. eta vs tors. theta energy: -90.185
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: 222
Temperature: 0.950000
Total energy: -1089.999403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.999403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.999403 (E_RNA)
where:
Base-Base interactions energy: -748.725
where: short stacking energy: -324.261
Base-Backbone interact. energy: -0.907
local terms energy: -340.366994
where:
bonds (distance) C4'-P energy: -66.521
bonds (distance) P-C4' energy: -63.724
flat angles C4'-P-C4' energy: -75.512
flat angles P-C4'-P energy: -46.986
tors. eta vs tors. theta energy: -87.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1085.451136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.451136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.451136 (E_RNA)
where:
Base-Base interactions energy: -763.983
where: short stacking energy: -337.394
Base-Backbone interact. energy: -1.752
local terms energy: -319.716016
where:
bonds (distance) C4'-P energy: -51.737
bonds (distance) P-C4' energy: -63.752
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -98.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1018.601367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.601367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.601367 (E_RNA)
where:
Base-Base interactions energy: -718.967
where: short stacking energy: -295.872
Base-Backbone interact. energy: -1.056
local terms energy: -298.577818
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -59.614
flat angles P-C4'-P energy: -46.832
tors. eta vs tors. theta energy: -81.583
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: 9
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -925.089721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.089721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.089721 (E_RNA)
where:
Base-Base interactions energy: -632.941
where: short stacking energy: -277.576
Base-Backbone interact. energy: -0.572
local terms energy: -291.577222
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -56.179
flat angles C4'-P-C4' energy: -63.914
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -82.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -849.726224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.726224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.726224 (E_RNA)
where:
Base-Base interactions energy: -581.033
where: short stacking energy: -260.012
Base-Backbone interact. energy: -2.551
local terms energy: -266.142405
where:
bonds (distance) C4'-P energy: -55.363
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -59.407
flat angles P-C4'-P energy: -31.439
tors. eta vs tors. theta energy: -67.079
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: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -800.043284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.043284 (E_RNA)
where:
Base-Base interactions energy: -542.743
where: short stacking energy: -220.719
Base-Backbone interact. energy: -0.144
local terms energy: -257.155767
where:
bonds (distance) C4'-P energy: -47.448
bonds (distance) P-C4' energy: -55.520
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -37.984
tors. eta vs tors. theta energy: -55.038
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: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -650.143802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.143802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.143802 (E_RNA)
where:
Base-Base interactions energy: -423.038
where: short stacking energy: -201.446
Base-Backbone interact. energy: 2.479
local terms energy: -229.584642
where:
bonds (distance) C4'-P energy: -53.729
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -34.181
tors. eta vs tors. theta energy: -35.464
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: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -566.084901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.084901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.084901 (E_RNA)
where:
Base-Base interactions energy: -351.493
where: short stacking energy: -179.471
Base-Backbone interact. energy: 1.031
local terms energy: -215.622966
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -50.868
flat angles C4'-P-C4' energy: -42.740
flat angles P-C4'-P energy: -45.671
tors. eta vs tors. theta energy: -32.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -438.664263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.664263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.664263 (E_RNA)
where:
Base-Base interactions energy: -267.433
where: short stacking energy: -127.941
Base-Backbone interact. energy: 1.095
local terms energy: -172.325392
where:
bonds (distance) C4'-P energy: -54.539
bonds (distance) P-C4' energy: -46.002
flat angles C4'-P-C4' energy: -43.472
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -7.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1139.878378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.878378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.878378 (E_RNA)
where:
Base-Base interactions energy: -814.297
where: short stacking energy: -333.837
Base-Backbone interact. energy: -0.865
local terms energy: -324.715480
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -59.037
flat angles C4'-P-C4' energy: -72.636
flat angles P-C4'-P energy: -43.708
tors. eta vs tors. theta energy: -91.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1089.369845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.369845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.369845 (E_RNA)
where:
Base-Base interactions energy: -766.011
where: short stacking energy: -337.327
Base-Backbone interact. energy: -2.039
local terms energy: -321.319924
where:
bonds (distance) C4'-P energy: -51.402
bonds (distance) P-C4' energy: -65.484
flat angles C4'-P-C4' energy: -68.971
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -101.628
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: 3, replica: 6
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1089.753012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.753012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.753012 (E_RNA)
where:
Base-Base interactions energy: -759.314
where: short stacking energy: -329.960
Base-Backbone interact. energy: -0.542
local terms energy: -329.896640
where:
bonds (distance) C4'-P energy: -58.925
bonds (distance) P-C4' energy: -67.553
flat angles C4'-P-C4' energy: -67.095
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -94.786
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: 223
Temperature: 1.050000
Total energy: -969.238422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.238422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.238422 (E_RNA)
where:
Base-Base interactions energy: -684.673
where: short stacking energy: -286.332
Base-Backbone interact. energy: 1.890
local terms energy: -286.456176
where:
bonds (distance) C4'-P energy: -62.664
bonds (distance) P-C4' energy: -53.636
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -33.628
tors. eta vs tors. theta energy: -78.790
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: 5, replica: 9
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -936.427339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.427339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.427339 (E_RNA)
where:
Base-Base interactions energy: -640.971
where: short stacking energy: -293.544
Base-Backbone interact. energy: -0.852
local terms energy: -294.605140
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -49.545
flat angles C4'-P-C4' energy: -63.086
flat angles P-C4'-P energy: -35.456
tors. eta vs tors. theta energy: -82.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -877.798597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.798597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.798597 (E_RNA)
where:
Base-Base interactions energy: -607.124
where: short stacking energy: -260.791
Base-Backbone interact. energy: -0.561
local terms energy: -270.113281
where:
bonds (distance) C4'-P energy: -48.719
bonds (distance) P-C4' energy: -52.701
flat angles C4'-P-C4' energy: -54.172
flat angles P-C4'-P energy: -44.410
tors. eta vs tors. theta energy: -70.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -702.863997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.863997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.863997 (E_RNA)
where:
Base-Base interactions energy: -449.803
where: short stacking energy: -211.547
Base-Backbone interact. energy: -0.828
local terms energy: -252.233392
where:
bonds (distance) C4'-P energy: -60.473
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -35.826
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -662.217809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.217809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.217809 (E_RNA)
where:
Base-Base interactions energy: -420.521
where: short stacking energy: -198.309
Base-Backbone interact. energy: -0.180
local terms energy: -241.516674
where:
bonds (distance) C4'-P energy: -55.168
bonds (distance) P-C4' energy: -37.759
flat angles C4'-P-C4' energy: -51.635
flat angles P-C4'-P energy: -41.157
tors. eta vs tors. theta energy: -55.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -451.993856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.993856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.993856 (E_RNA)
where:
Base-Base interactions energy: -280.704
where: short stacking energy: -144.024
Base-Backbone interact. energy: 2.283
local terms energy: -173.572595
where:
bonds (distance) C4'-P energy: -43.958
bonds (distance) P-C4' energy: -38.210
flat angles C4'-P-C4' energy: -57.475
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -445.344887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.344887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.344887 (E_RNA)
where:
Base-Base interactions energy: -236.136
where: short stacking energy: -109.171
Base-Backbone interact. energy: 1.940
local terms energy: -211.149107
where:
bonds (distance) C4'-P energy: -52.550
bonds (distance) P-C4' energy: -57.342
flat angles C4'-P-C4' energy: -52.304
flat angles P-C4'-P energy: -28.726
tors. eta vs tors. theta energy: -20.226
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: 1, replica: 1
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1151.110539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.110539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.110539 (E_RNA)
where:
Base-Base interactions energy: -820.841
where: short stacking energy: -331.324
Base-Backbone interact. energy: -0.704
local terms energy: -329.565999
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -71.152
flat angles C4'-P-C4' energy: -70.679
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -95.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1092.659408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.659408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.659408 (E_RNA)
where:
Base-Base interactions energy: -770.409
where: short stacking energy: -339.870
Base-Backbone interact. energy: -1.875
local terms energy: -320.375413
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -64.263
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -96.415
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: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1077.026639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.026639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.026639 (E_RNA)
where:
Base-Base interactions energy: -740.856
where: short stacking energy: -323.973
Base-Backbone interact. energy: -2.400
local terms energy: -333.770558
where:
bonds (distance) C4'-P energy: -54.404
bonds (distance) P-C4' energy: -58.641
flat angles C4'-P-C4' energy: -73.170
flat angles P-C4'-P energy: -49.782
tors. eta vs tors. theta energy: -97.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -993.206100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.206100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.206100 (E_RNA)
where:
Base-Base interactions energy: -699.537
where: short stacking energy: -289.292
Base-Backbone interact. energy: -3.734
local terms energy: -289.934565
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -55.267
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -76.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -933.354716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.354716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.354716 (E_RNA)
where:
Base-Base interactions energy: -667.851
where: short stacking energy: -300.829
Base-Backbone interact. energy: -0.863
local terms energy: -264.640030
where:
bonds (distance) C4'-P energy: -47.874
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -58.011
flat angles P-C4'-P energy: -23.472
tors. eta vs tors. theta energy: -81.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -888.870828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.870828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.870828 (E_RNA)
where:
Base-Base interactions energy: -613.731
where: short stacking energy: -268.230
Base-Backbone interact. energy: 1.958
local terms energy: -277.097762
where:
bonds (distance) C4'-P energy: -52.345
bonds (distance) P-C4' energy: -57.864
flat angles C4'-P-C4' energy: -55.247
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -70.441
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: 7, replica: 7
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -689.740288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.740288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.740288 (E_RNA)
where:
Base-Base interactions energy: -441.103
where: short stacking energy: -195.900
Base-Backbone interact. energy: 3.212
local terms energy: -251.849235
where:
bonds (distance) C4'-P energy: -57.308
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -34.123
tors. eta vs tors. theta energy: -39.217
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: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -684.082438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.082438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.082438 (E_RNA)
where:
Base-Base interactions energy: -427.950
where: short stacking energy: -218.625
Base-Backbone interact. energy: -0.982
local terms energy: -255.150460
where:
bonds (distance) C4'-P energy: -60.749
bonds (distance) P-C4' energy: -57.054
flat angles C4'-P-C4' energy: -55.036
flat angles P-C4'-P energy: -29.838
tors. eta vs tors. theta energy: -52.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -446.816594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.816594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.816594 (E_RNA)
where:
Base-Base interactions energy: -234.430
where: short stacking energy: -117.938
Base-Backbone interact. energy: -1.520
local terms energy: -210.867029
where:
bonds (distance) C4'-P energy: -52.480
bonds (distance) P-C4' energy: -60.234
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -33.765
tors. eta vs tors. theta energy: -14.188
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: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -408.354242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.354242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.354242 (E_RNA)
where:
Base-Base interactions energy: -218.736
where: short stacking energy: -121.850
Base-Backbone interact. energy: 0.393
local terms energy: -190.010501
where:
bonds (distance) C4'-P energy: -45.420
bonds (distance) P-C4' energy: -49.929
flat angles C4'-P-C4' energy: -48.214
flat angles P-C4'-P energy: -26.684
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1158.653108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.653108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.653108 (E_RNA)
where:
Base-Base interactions energy: -827.063
where: short stacking energy: -343.478
Base-Backbone interact. energy: -2.025
local terms energy: -329.565372
where:
bonds (distance) C4'-P energy: -53.173
bonds (distance) P-C4' energy: -61.965
flat angles C4'-P-C4' energy: -72.169
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -98.369
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: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1115.215852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.215852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.215852 (E_RNA)
where:
Base-Base interactions energy: -769.522
where: short stacking energy: -346.322
Base-Backbone interact. energy: -0.714
local terms energy: -344.980364
where:
bonds (distance) C4'-P energy: -69.618
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -72.026
flat angles P-C4'-P energy: -49.943
tors. eta vs tors. theta energy: -96.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1067.776388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.776388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.776388 (E_RNA)
where:
Base-Base interactions energy: -750.365
where: short stacking energy: -311.284
Base-Backbone interact. energy: 0.362
local terms energy: -317.773223
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -60.715
flat angles C4'-P-C4' energy: -69.888
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -91.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -989.546101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.546101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.546101 (E_RNA)
where:
Base-Base interactions energy: -696.747
where: short stacking energy: -268.682
Base-Backbone interact. energy: -0.734
local terms energy: -292.064846
where:
bonds (distance) C4'-P energy: -53.040
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -47.431
tors. eta vs tors. theta energy: -71.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -927.723770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.723770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.723770 (E_RNA)
where:
Base-Base interactions energy: -643.985
where: short stacking energy: -292.201
Base-Backbone interact. energy: -1.463
local terms energy: -282.275207
where:
bonds (distance) C4'-P energy: -52.172
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -60.083
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -75.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -903.165109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.165109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.165109 (E_RNA)
where:
Base-Base interactions energy: -615.340
where: short stacking energy: -261.232
Base-Backbone interact. energy: -1.388
local terms energy: -286.436928
where:
bonds (distance) C4'-P energy: -57.602
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -63.033
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -76.318
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: 7
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -731.178856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.178856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.178856 (E_RNA)
where:
Base-Base interactions energy: -479.069
where: short stacking energy: -223.191
Base-Backbone interact. energy: -1.376
local terms energy: -250.733391
where:
bonds (distance) C4'-P energy: -56.920
bonds (distance) P-C4' energy: -47.441
flat angles C4'-P-C4' energy: -51.525
flat angles P-C4'-P energy: -43.792
tors. eta vs tors. theta energy: -51.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -636.672386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.672386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.672386 (E_RNA)
where:
Base-Base interactions energy: -411.542
where: short stacking energy: -202.532
Base-Backbone interact. energy: 5.712
local terms energy: -230.841841
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -43.354
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -37.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -431.011847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.011847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.011847 (E_RNA)
where:
Base-Base interactions energy: -247.812
where: short stacking energy: -140.836
Base-Backbone interact. energy: -1.018
local terms energy: -182.181043
where:
bonds (distance) C4'-P energy: -49.920
bonds (distance) P-C4' energy: -52.414
flat angles C4'-P-C4' energy: -38.281
flat angles P-C4'-P energy: -32.942
tors. eta vs tors. theta energy: -8.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -423.924818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.924818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.924818 (E_RNA)
where:
Base-Base interactions energy: -242.007
where: short stacking energy: -125.577
Base-Backbone interact. energy: -0.885
local terms energy: -181.032619
where:
bonds (distance) C4'-P energy: -50.319
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -32.346
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1152.760482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.760482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.760482 (E_RNA)
where:
Base-Base interactions energy: -837.087
where: short stacking energy: -336.910
Base-Backbone interact. energy: -3.654
local terms energy: -312.019021
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -60.301
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -96.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1090.929130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.929130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.929130 (E_RNA)
where:
Base-Base interactions energy: -759.698
where: short stacking energy: -347.082
Base-Backbone interact. energy: -0.268
local terms energy: -330.963588
where:
bonds (distance) C4'-P energy: -52.583
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -71.887
flat angles P-C4'-P energy: -46.094
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: 3, replica: 3
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1060.335005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.335005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.335005 (E_RNA)
where:
Base-Base interactions energy: -738.547
where: short stacking energy: -314.222
Base-Backbone interact. energy: -0.453
local terms energy: -321.335183
where:
bonds (distance) C4'-P energy: -62.959
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -44.395
tors. eta vs tors. theta energy: -88.232
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: 4, replica: 2
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1008.757343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.757343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.757343 (E_RNA)
where:
Base-Base interactions energy: -711.997
where: short stacking energy: -298.845
Base-Backbone interact. energy: 0.084
local terms energy: -296.844342
where:
bonds (distance) C4'-P energy: -55.102
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -39.067
tors. eta vs tors. theta energy: -84.816
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: 5, replica: 9
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -930.375102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.375102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.375102 (E_RNA)
where:
Base-Base interactions energy: -624.687
where: short stacking energy: -282.249
Base-Backbone interact. energy: -1.132
local terms energy: -304.556881
where:
bonds (distance) C4'-P energy: -62.547
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -66.896
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: -79.829
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: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -932.470754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.470754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.470754 (E_RNA)
where:
Base-Base interactions energy: -637.249
where: short stacking energy: -267.568
Base-Backbone interact. energy: -1.710
local terms energy: -293.511459
where:
bonds (distance) C4'-P energy: -65.508
bonds (distance) P-C4' energy: -58.374
flat angles C4'-P-C4' energy: -54.811
flat angles P-C4'-P energy: -44.962
tors. eta vs tors. theta energy: -69.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -760.505162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.505162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.505162 (E_RNA)
where:
Base-Base interactions energy: -508.831
where: short stacking energy: -219.164
Base-Backbone interact. energy: 0.672
local terms energy: -252.346687
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -54.994
flat angles C4'-P-C4' energy: -50.629
flat angles P-C4'-P energy: -40.638
tors. eta vs tors. theta energy: -55.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -625.290563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.290563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.290563 (E_RNA)
where:
Base-Base interactions energy: -397.899
where: short stacking energy: -182.919
Base-Backbone interact. energy: -1.970
local terms energy: -225.421236
where:
bonds (distance) C4'-P energy: -35.866
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -52.077
flat angles P-C4'-P energy: -33.039
tors. eta vs tors. theta energy: -39.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -401.448000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.448000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.448000 (E_RNA)
where:
Base-Base interactions energy: -216.203
where: short stacking energy: -122.347
Base-Backbone interact. energy: 0.576
local terms energy: -185.820789
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -49.181
flat angles C4'-P-C4' energy: -42.111
flat angles P-C4'-P energy: -27.417
tors. eta vs tors. theta energy: -17.204
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -409.860246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.860246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.860246 (E_RNA)
where:
Base-Base interactions energy: -221.897
where: short stacking energy: -108.328
Base-Backbone interact. energy: -2.197
local terms energy: -185.766463
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -54.182
flat angles C4'-P-C4' energy: -52.810
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1148.649576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.649576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.649576 (E_RNA)
where:
Base-Base interactions energy: -825.933
where: short stacking energy: -345.912
Base-Backbone interact. energy: -0.955
local terms energy: -321.761803
where:
bonds (distance) C4'-P energy: -58.978
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -40.311
tors. eta vs tors. theta energy: -93.097
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: 2, replica: 3
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1073.933878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.933878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.933878 (E_RNA)
where:
Base-Base interactions energy: -758.089
where: short stacking energy: -323.632
Base-Backbone interact. energy: -1.186
local terms energy: -314.658820
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -62.591
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -50.296
tors. eta vs tors. theta energy: -83.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1058.850411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.850411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.850411 (E_RNA)
where:
Base-Base interactions energy: -739.313
where: short stacking energy: -334.490
Base-Backbone interact. energy: -0.627
local terms energy: -318.910970
where:
bonds (distance) C4'-P energy: -57.147
bonds (distance) P-C4' energy: -56.426
flat angles C4'-P-C4' energy: -67.508
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -98.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -995.712755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.712755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.712755 (E_RNA)
where:
Base-Base interactions energy: -703.851
where: short stacking energy: -268.755
Base-Backbone interact. energy: -2.548
local terms energy: -289.313922
where:
bonds (distance) C4'-P energy: -57.436
bonds (distance) P-C4' energy: -50.700
flat angles C4'-P-C4' energy: -68.207
flat angles P-C4'-P energy: -44.695
tors. eta vs tors. theta energy: -68.275
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: 9
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -954.386686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.386686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.386686 (E_RNA)
where:
Base-Base interactions energy: -639.185
where: short stacking energy: -293.725
Base-Backbone interact. energy: 0.379
local terms energy: -315.581285
where:
bonds (distance) C4'-P energy: -55.842
bonds (distance) P-C4' energy: -55.749
flat angles C4'-P-C4' energy: -70.281
flat angles P-C4'-P energy: -48.917
tors. eta vs tors. theta energy: -84.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -909.388468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.388468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.388468 (E_RNA)
where:
Base-Base interactions energy: -607.435
where: short stacking energy: -266.564
Base-Backbone interact. energy: 0.856
local terms energy: -302.809669
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -62.905
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -42.050
tors. eta vs tors. theta energy: -73.934
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: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -767.781419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.781419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.781419 (E_RNA)
where:
Base-Base interactions energy: -508.183
where: short stacking energy: -225.444
Base-Backbone interact. energy: -1.220
local terms energy: -258.377801
where:
bonds (distance) C4'-P energy: -49.142
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -60.866
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -59.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -608.656963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.656963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.656963 (E_RNA)
where:
Base-Base interactions energy: -386.546
where: short stacking energy: -150.713
Base-Backbone interact. energy: 4.370
local terms energy: -226.481024
where:
bonds (distance) C4'-P energy: -48.551
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -28.144
tors. eta vs tors. theta energy: -33.680
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: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -415.679688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.679688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.679688 (E_RNA)
where:
Base-Base interactions energy: -218.097
where: short stacking energy: -133.222
Base-Backbone interact. energy: 0.336
local terms energy: -197.918422
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -49.398
flat angles P-C4'-P energy: -22.569
tors. eta vs tors. theta energy: -24.923
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: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -426.332306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.332306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.332306 (E_RNA)
where:
Base-Base interactions energy: -249.063
where: short stacking energy: -138.332
Base-Backbone interact. energy: -0.909
local terms energy: -176.360536
where:
bonds (distance) C4'-P energy: -43.940
bonds (distance) P-C4' energy: -56.394
flat angles C4'-P-C4' energy: -46.032
flat angles P-C4'-P energy: -22.226
tors. eta vs tors. theta energy: -7.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1155.547231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.547231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.547231 (E_RNA)
where:
Base-Base interactions energy: -829.012
where: short stacking energy: -348.877
Base-Backbone interact. energy: -0.834
local terms energy: -325.701798
where:
bonds (distance) C4'-P energy: -58.518
bonds (distance) P-C4' energy: -66.233
flat angles C4'-P-C4' energy: -70.467
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -92.435
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: 228
Temperature: 0.950000
Total energy: -1079.463151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.463151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.463151 (E_RNA)
where:
Base-Base interactions energy: -764.729
where: short stacking energy: -346.389
Base-Backbone interact. energy: -1.107
local terms energy: -313.627504
where:
bonds (distance) C4'-P energy: -53.758
bonds (distance) P-C4' energy: -52.981
flat angles C4'-P-C4' energy: -72.079
flat angles P-C4'-P energy: -43.367
tors. eta vs tors. theta energy: -91.443
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: 3, replica: 6
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1087.717623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.717623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.717623 (E_RNA)
where:
Base-Base interactions energy: -773.601
where: short stacking energy: -343.573
Base-Backbone interact. energy: -0.484
local terms energy: -313.633127
where:
bonds (distance) C4'-P energy: -61.056
bonds (distance) P-C4' energy: -52.107
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -39.060
tors. eta vs tors. theta energy: -92.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1000.362100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.362100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.362100 (E_RNA)
where:
Base-Base interactions energy: -692.681
where: short stacking energy: -304.772
Base-Backbone interact. energy: -0.671
local terms energy: -307.010557
where:
bonds (distance) C4'-P energy: -68.891
bonds (distance) P-C4' energy: -47.677
flat angles C4'-P-C4' energy: -67.838
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: -77.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -895.463195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.463195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.463195 (E_RNA)
where:
Base-Base interactions energy: -610.180
where: short stacking energy: -266.867
Base-Backbone interact. energy: 1.717
local terms energy: -286.999714
where:
bonds (distance) C4'-P energy: -58.007
bonds (distance) P-C4' energy: -51.531
flat angles C4'-P-C4' energy: -64.113
flat angles P-C4'-P energy: -40.882
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: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -903.666379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.666379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.666379 (E_RNA)
where:
Base-Base interactions energy: -629.144
where: short stacking energy: -268.204
Base-Backbone interact. energy: -0.290
local terms energy: -274.232978
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -48.421
flat angles C4'-P-C4' energy: -58.936
flat angles P-C4'-P energy: -35.078
tors. eta vs tors. theta energy: -74.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -788.666772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.666772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.666772 (E_RNA)
where:
Base-Base interactions energy: -547.877
where: short stacking energy: -246.319
Base-Backbone interact. energy: 0.269
local terms energy: -241.058482
where:
bonds (distance) C4'-P energy: -39.038
bonds (distance) P-C4' energy: -57.549
flat angles C4'-P-C4' energy: -53.671
flat angles P-C4'-P energy: -30.437
tors. eta vs tors. theta energy: -60.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -612.877646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.877646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.877646 (E_RNA)
where:
Base-Base interactions energy: -384.227
where: short stacking energy: -186.639
Base-Backbone interact. energy: -0.080
local terms energy: -228.570845
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -59.489
flat angles C4'-P-C4' energy: -54.521
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -36.644
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: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -416.907493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.907493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.907493 (E_RNA)
where:
Base-Base interactions energy: -227.666
where: short stacking energy: -113.310
Base-Backbone interact. energy: -2.415
local terms energy: -186.826536
where:
bonds (distance) C4'-P energy: -57.654
bonds (distance) P-C4' energy: -58.886
flat angles C4'-P-C4' energy: -43.981
flat angles P-C4'-P energy: -21.152
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -363.967912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.967912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.967912 (E_RNA)
where:
Base-Base interactions energy: -183.093
where: short stacking energy: -88.170
Base-Backbone interact. energy: -2.562
local terms energy: -178.313109
where:
bonds (distance) C4'-P energy: -57.441
bonds (distance) P-C4' energy: -54.905
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -0.563
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: 1
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1150.954049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.954049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.954049 (E_RNA)
where:
Base-Base interactions energy: -821.982
where: short stacking energy: -331.151
Base-Backbone interact. energy: 0.741
local terms energy: -329.712878
where:
bonds (distance) C4'-P energy: -55.941
bonds (distance) P-C4' energy: -58.276
flat angles C4'-P-C4' energy: -76.575
flat angles P-C4'-P energy: -42.812
tors. eta vs tors. theta energy: -96.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1085.880757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.880757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.880757 (E_RNA)
where:
Base-Base interactions energy: -757.759
where: short stacking energy: -327.618
Base-Backbone interact. energy: -2.572
local terms energy: -325.549411
where:
bonds (distance) C4'-P energy: -60.271
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -74.584
flat angles P-C4'-P energy: -39.663
tors. eta vs tors. theta energy: -90.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1079.382445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.382445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.382445 (E_RNA)
where:
Base-Base interactions energy: -756.328
where: short stacking energy: -330.780
Base-Backbone interact. energy: 0.159
local terms energy: -323.213948
where:
bonds (distance) C4'-P energy: -58.528
bonds (distance) P-C4' energy: -62.777
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -50.448
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: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -938.913000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.913000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.913000 (E_RNA)
where:
Base-Base interactions energy: -632.092
where: short stacking energy: -283.786
Base-Backbone interact. energy: -3.015
local terms energy: -303.806474
where:
bonds (distance) C4'-P energy: -56.492
bonds (distance) P-C4' energy: -60.355
flat angles C4'-P-C4' energy: -69.765
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -71.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -940.443418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.443418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.443418 (E_RNA)
where:
Base-Base interactions energy: -653.585
where: short stacking energy: -282.614
Base-Backbone interact. energy: -2.109
local terms energy: -284.749435
where:
bonds (distance) C4'-P energy: -45.575
bonds (distance) P-C4' energy: -58.667
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -42.418
tors. eta vs tors. theta energy: -74.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -854.100596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.100596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.100596 (E_RNA)
where:
Base-Base interactions energy: -589.018
where: short stacking energy: -265.447
Base-Backbone interact. energy: -0.673
local terms energy: -264.410002
where:
bonds (distance) C4'-P energy: -46.273
bonds (distance) P-C4' energy: -50.737
flat angles C4'-P-C4' energy: -64.712
flat angles P-C4'-P energy: -38.943
tors. eta vs tors. theta energy: -63.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -837.965491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.965491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.965491 (E_RNA)
where:
Base-Base interactions energy: -573.897
where: short stacking energy: -249.541
Base-Backbone interact. energy: 0.655
local terms energy: -264.724216
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -58.985
flat angles P-C4'-P energy: -39.768
tors. eta vs tors. theta energy: -66.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -605.259801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.259801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.259801 (E_RNA)
where:
Base-Base interactions energy: -374.174
where: short stacking energy: -195.674
Base-Backbone interact. energy: -1.747
local terms energy: -229.339405
where:
bonds (distance) C4'-P energy: -43.683
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -59.552
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -43.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -439.175291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.175291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.175291 (E_RNA)
where:
Base-Base interactions energy: -233.295
where: short stacking energy: -127.385
Base-Backbone interact. energy: 0.430
local terms energy: -206.310288
where:
bonds (distance) C4'-P energy: -52.639
bonds (distance) P-C4' energy: -53.550
flat angles C4'-P-C4' energy: -54.360
flat angles P-C4'-P energy: -29.373
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -401.851987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.851987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.851987 (E_RNA)
where:
Base-Base interactions energy: -230.028
where: short stacking energy: -127.422
Base-Backbone interact. energy: 1.129
local terms energy: -172.953137
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -47.056
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -9.724
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: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1161.228169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.228169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.228169 (E_RNA)
where:
Base-Base interactions energy: -819.886
where: short stacking energy: -344.109
Base-Backbone interact. energy: -0.731
local terms energy: -340.611268
where:
bonds (distance) C4'-P energy: -63.139
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -67.224
flat angles P-C4'-P energy: -50.420
tors. eta vs tors. theta energy: -99.350
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: 6
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1106.318425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.318425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.318425 (E_RNA)
where:
Base-Base interactions energy: -784.159
where: short stacking energy: -331.712
Base-Backbone interact. energy: -0.964
local terms energy: -321.195497
where:
bonds (distance) C4'-P energy: -56.039
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -66.855
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -99.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -975.142764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.142764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.142764 (E_RNA)
where:
Base-Base interactions energy: -660.321
where: short stacking energy: -294.322
Base-Backbone interact. energy: -1.853
local terms energy: -312.968802
where:
bonds (distance) C4'-P energy: -55.824
bonds (distance) P-C4' energy: -62.463
flat angles C4'-P-C4' energy: -67.755
flat angles P-C4'-P energy: -42.786
tors. eta vs tors. theta energy: -84.141
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: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1013.825392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.825392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.825392 (E_RNA)
where:
Base-Base interactions energy: -712.855
where: short stacking energy: -303.395
Base-Backbone interact. energy: -0.167
local terms energy: -300.803010
where:
bonds (distance) C4'-P energy: -51.650
bonds (distance) P-C4' energy: -52.282
flat angles C4'-P-C4' energy: -70.151
flat angles P-C4'-P energy: -37.788
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: 5, replica: 9
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -880.016005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.016005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.016005 (E_RNA)
where:
Base-Base interactions energy: -599.374
where: short stacking energy: -257.477
Base-Backbone interact. energy: -1.591
local terms energy: -279.051167
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -56.544
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -39.708
tors. eta vs tors. theta energy: -70.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -910.449177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.449177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.449177 (E_RNA)
where:
Base-Base interactions energy: -646.998
where: short stacking energy: -275.902
Base-Backbone interact. energy: -0.988
local terms energy: -262.463190
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -45.217
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -71.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -798.360112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.360112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.360112 (E_RNA)
where:
Base-Base interactions energy: -542.784
where: short stacking energy: -231.778
Base-Backbone interact. energy: 0.594
local terms energy: -256.170610
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -49.270
flat angles C4'-P-C4' energy: -57.670
flat angles P-C4'-P energy: -29.086
tors. eta vs tors. theta energy: -65.081
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: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -615.482207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.482207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.482207 (E_RNA)
where:
Base-Base interactions energy: -397.041
where: short stacking energy: -190.031
Base-Backbone interact. energy: -1.109
local terms energy: -217.332271
where:
bonds (distance) C4'-P energy: -46.935
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -28.414
tors. eta vs tors. theta energy: -34.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -430.790635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.790635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.790635 (E_RNA)
where:
Base-Base interactions energy: -226.795
where: short stacking energy: -125.242
Base-Backbone interact. energy: -0.169
local terms energy: -203.826609
where:
bonds (distance) C4'-P energy: -48.838
bonds (distance) P-C4' energy: -57.704
flat angles C4'-P-C4' energy: -56.671
flat angles P-C4'-P energy: -23.867
tors. eta vs tors. theta energy: -16.747
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: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -460.944350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.944350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.944350 (E_RNA)
where:
Base-Base interactions energy: -265.314
where: short stacking energy: -153.774
Base-Backbone interact. energy: -0.602
local terms energy: -195.028509
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -42.461
flat angles C4'-P-C4' energy: -52.327
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1165.812987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.812987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.812987 (E_RNA)
where:
Base-Base interactions energy: -822.816
where: short stacking energy: -329.854
Base-Backbone interact. energy: -1.570
local terms energy: -341.427368
where:
bonds (distance) C4'-P energy: -62.984
bonds (distance) P-C4' energy: -63.808
flat angles C4'-P-C4' energy: -74.792
flat angles P-C4'-P energy: -39.580
tors. eta vs tors. theta energy: -100.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1080.221314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.221314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.221314 (E_RNA)
where:
Base-Base interactions energy: -747.041
where: short stacking energy: -333.460
Base-Backbone interact. energy: -0.768
local terms energy: -332.412091
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -70.577
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -43.508
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: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -963.792135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.792135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.792135 (E_RNA)
where:
Base-Base interactions energy: -658.044
where: short stacking energy: -287.063
Base-Backbone interact. energy: -1.393
local terms energy: -304.355398
where:
bonds (distance) C4'-P energy: -56.975
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -66.628
flat angles P-C4'-P energy: -39.734
tors. eta vs tors. theta energy: -78.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1004.626813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.626813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.626813 (E_RNA)
where:
Base-Base interactions energy: -692.906
where: short stacking energy: -295.386
Base-Backbone interact. energy: -0.151
local terms energy: -311.570112
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -60.127
flat angles C4'-P-C4' energy: -67.981
flat angles P-C4'-P energy: -38.315
tors. eta vs tors. theta energy: -89.138
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: 5, replica: 9
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -919.237552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.237552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.237552 (E_RNA)
where:
Base-Base interactions energy: -635.064
where: short stacking energy: -280.487
Base-Backbone interact. energy: -0.345
local terms energy: -283.828324
where:
bonds (distance) C4'-P energy: -46.850
bonds (distance) P-C4' energy: -58.640
flat angles C4'-P-C4' energy: -57.195
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -78.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -949.452576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.452576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.452576 (E_RNA)
where:
Base-Base interactions energy: -670.276
where: short stacking energy: -280.341
Base-Backbone interact. energy: -0.398
local terms energy: -278.778598
where:
bonds (distance) C4'-P energy: -55.307
bonds (distance) P-C4' energy: -60.279
flat angles C4'-P-C4' energy: -54.465
flat angles P-C4'-P energy: -43.529
tors. eta vs tors. theta energy: -65.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -770.689531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.689531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.689531 (E_RNA)
where:
Base-Base interactions energy: -521.047
where: short stacking energy: -227.616
Base-Backbone interact. energy: -0.049
local terms energy: -249.593468
where:
bonds (distance) C4'-P energy: -42.020
bonds (distance) P-C4' energy: -52.250
flat angles C4'-P-C4' energy: -54.411
flat angles P-C4'-P energy: -44.134
tors. eta vs tors. theta energy: -56.778
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -652.051300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.051300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.051300 (E_RNA)
where:
Base-Base interactions energy: -424.930
where: short stacking energy: -202.195
Base-Backbone interact. energy: 1.972
local terms energy: -229.093249
where:
bonds (distance) C4'-P energy: -43.164
bonds (distance) P-C4' energy: -52.697
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -39.674
tors. eta vs tors. theta energy: -41.854
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: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -415.401412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.401412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.401412 (E_RNA)
where:
Base-Base interactions energy: -237.358
where: short stacking energy: -127.742
Base-Backbone interact. energy: -1.381
local terms energy: -176.662451
where:
bonds (distance) C4'-P energy: -46.517
bonds (distance) P-C4' energy: -50.697
flat angles C4'-P-C4' energy: -55.053
flat angles P-C4'-P energy: -15.108
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -401.615395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.615395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.615395 (E_RNA)
where:
Base-Base interactions energy: -216.186
where: short stacking energy: -112.349
Base-Backbone interact. energy: -1.868
local terms energy: -183.560772
where:
bonds (distance) C4'-P energy: -51.632
bonds (distance) P-C4' energy: -48.806
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -18.937
tors. eta vs tors. theta energy: -14.682
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: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1171.443936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.443936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.443936 (E_RNA)
where:
Base-Base interactions energy: -840.512
where: short stacking energy: -339.922
Base-Backbone interact. energy: -2.363
local terms energy: -328.569077
where:
bonds (distance) C4'-P energy: -69.180
bonds (distance) P-C4' energy: -57.617
flat angles C4'-P-C4' energy: -71.693
flat angles P-C4'-P energy: -34.206
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: 2, replica: 6
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1082.323144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.323144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.323144 (E_RNA)
where:
Base-Base interactions energy: -749.749
where: short stacking energy: -335.739
Base-Backbone interact. energy: 0.763
local terms energy: -333.336722
where:
bonds (distance) C4'-P energy: -62.663
bonds (distance) P-C4' energy: -64.638
flat angles C4'-P-C4' energy: -61.539
flat angles P-C4'-P energy: -50.116
tors. eta vs tors. theta energy: -94.381
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: 232
Temperature: 1.000000
Total energy: -1043.717505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.717505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.717505 (E_RNA)
where:
Base-Base interactions energy: -728.492
where: short stacking energy: -310.655
Base-Backbone interact. energy: -2.222
local terms energy: -313.002828
where:
bonds (distance) C4'-P energy: -58.890
bonds (distance) P-C4' energy: -57.338
flat angles C4'-P-C4' energy: -70.443
flat angles P-C4'-P energy: -41.302
tors. eta vs tors. theta energy: -85.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -943.990695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.990695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.990695 (E_RNA)
where:
Base-Base interactions energy: -642.664
where: short stacking energy: -279.805
Base-Backbone interact. energy: -1.833
local terms energy: -299.493397
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -71.675
flat angles P-C4'-P energy: -38.970
tors. eta vs tors. theta energy: -77.572
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: 232
Temperature: 1.100000
Total energy: -950.494921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.494921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.494921 (E_RNA)
where:
Base-Base interactions energy: -665.823
where: short stacking energy: -288.608
Base-Backbone interact. energy: -1.269
local terms energy: -283.402494
where:
bonds (distance) C4'-P energy: -44.759
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -33.990
tors. eta vs tors. theta energy: -76.082
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: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -896.392768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.392768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.392768 (E_RNA)
where:
Base-Base interactions energy: -607.062
where: short stacking energy: -285.128
Base-Backbone interact. energy: -1.119
local terms energy: -288.212192
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -38.005
tors. eta vs tors. theta energy: -81.844
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: 5
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -770.207387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.207387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.207387 (E_RNA)
where:
Base-Base interactions energy: -513.064
where: short stacking energy: -229.126
Base-Backbone interact. energy: -0.275
local terms energy: -256.868479
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -55.108
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -37.582
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -680.336994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.336994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.336994 (E_RNA)
where:
Base-Base interactions energy: -431.764
where: short stacking energy: -197.324
Base-Backbone interact. energy: -0.682
local terms energy: -247.891612
where:
bonds (distance) C4'-P energy: -54.627
bonds (distance) P-C4' energy: -63.292
flat angles C4'-P-C4' energy: -48.295
flat angles P-C4'-P energy: -43.142
tors. eta vs tors. theta energy: -38.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -442.185296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.185296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.185296 (E_RNA)
where:
Base-Base interactions energy: -243.809
where: short stacking energy: -141.825
Base-Backbone interact. energy: -2.691
local terms energy: -195.685645
where:
bonds (distance) C4'-P energy: -52.054
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -34.157
flat angles P-C4'-P energy: -36.547
tors. eta vs tors. theta energy: -18.010
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -371.088105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.088105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.088105 (E_RNA)
where:
Base-Base interactions energy: -188.179
where: short stacking energy: -96.737
Base-Backbone interact. energy: 1.180
local terms energy: -184.089659
where:
bonds (distance) C4'-P energy: -50.268
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -33.213
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1147.071150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.071150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.071150 (E_RNA)
where:
Base-Base interactions energy: -807.626
where: short stacking energy: -328.771
Base-Backbone interact. energy: -2.200
local terms energy: -337.244709
where:
bonds (distance) C4'-P energy: -59.708
bonds (distance) P-C4' energy: -64.176
flat angles C4'-P-C4' energy: -74.523
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -97.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1089.400684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.400684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.400684 (E_RNA)
where:
Base-Base interactions energy: -748.297
where: short stacking energy: -318.440
Base-Backbone interact. energy: -3.236
local terms energy: -337.868469
where:
bonds (distance) C4'-P energy: -66.736
bonds (distance) P-C4' energy: -58.888
flat angles C4'-P-C4' energy: -62.698
flat angles P-C4'-P energy: -52.793
tors. eta vs tors. theta energy: -96.753
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: 233
Temperature: 1.000000
Total energy: -1027.230738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.230738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.230738 (E_RNA)
where:
Base-Base interactions energy: -713.377
where: short stacking energy: -312.086
Base-Backbone interact. energy: -0.458
local terms energy: -313.395984
where:
bonds (distance) C4'-P energy: -64.695
bonds (distance) P-C4' energy: -55.362
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -84.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -943.596474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.596474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.596474 (E_RNA)
where:
Base-Base interactions energy: -631.447
where: short stacking energy: -281.779
Base-Backbone interact. energy: -0.242
local terms energy: -311.907620
where:
bonds (distance) C4'-P energy: -62.591
bonds (distance) P-C4' energy: -64.549
flat angles C4'-P-C4' energy: -65.501
flat angles P-C4'-P energy: -46.452
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: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -941.363532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.363532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.363532 (E_RNA)
where:
Base-Base interactions energy: -650.113
where: short stacking energy: -267.770
Base-Backbone interact. energy: -0.419
local terms energy: -290.831026
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -57.694
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -44.150
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: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -874.725547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.725547 (E_RNA)
where:
Base-Base interactions energy: -601.533
where: short stacking energy: -259.137
Base-Backbone interact. energy: -1.698
local terms energy: -271.494204
where:
bonds (distance) C4'-P energy: -44.624
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -58.290
flat angles P-C4'-P energy: -38.149
tors. eta vs tors. theta energy: -67.304
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: 5
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -831.955522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.955522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.955522 (E_RNA)
where:
Base-Base interactions energy: -566.310
where: short stacking energy: -252.602
Base-Backbone interact. energy: 0.123
local terms energy: -265.768281
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -58.210
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -65.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -597.262561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.262561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.262561 (E_RNA)
where:
Base-Base interactions energy: -379.447
where: short stacking energy: -177.036
Base-Backbone interact. energy: -1.507
local terms energy: -216.308711
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -57.047
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -33.546
tors. eta vs tors. theta energy: -29.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -357.757585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.757585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.757585 (E_RNA)
where:
Base-Base interactions energy: -182.445
where: short stacking energy: -92.093
Base-Backbone interact. energy: -0.706
local terms energy: -174.606854
where:
bonds (distance) C4'-P energy: -52.888
bonds (distance) P-C4' energy: -62.584
flat angles C4'-P-C4' energy: -30.864
flat angles P-C4'-P energy: -25.578
tors. eta vs tors. theta energy: -2.693
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: 233
Temperature: 1.350000
Total energy: -390.865341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.865341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.865341 (E_RNA)
where:
Base-Base interactions energy: -208.681
where: short stacking energy: -115.818
Base-Backbone interact. energy: 2.186
local terms energy: -184.369920
where:
bonds (distance) C4'-P energy: -47.117
bonds (distance) P-C4' energy: -43.854
flat angles C4'-P-C4' energy: -55.106
flat angles P-C4'-P energy: -26.018
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1152.734543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.734543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.734543 (E_RNA)
where:
Base-Base interactions energy: -819.511
where: short stacking energy: -346.311
Base-Backbone interact. energy: -1.834
local terms energy: -331.389646
where:
bonds (distance) C4'-P energy: -61.176
bonds (distance) P-C4' energy: -61.027
flat angles C4'-P-C4' energy: -71.990
flat angles P-C4'-P energy: -46.014
tors. eta vs tors. theta energy: -91.182
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: 6
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1075.412221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.412221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.412221 (E_RNA)
where:
Base-Base interactions energy: -734.848
where: short stacking energy: -316.538
Base-Backbone interact. energy: -1.356
local terms energy: -339.207929
where:
bonds (distance) C4'-P energy: -64.942
bonds (distance) P-C4' energy: -63.824
flat angles C4'-P-C4' energy: -72.629
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -95.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1037.299396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.299396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.299396 (E_RNA)
where:
Base-Base interactions energy: -732.551
where: short stacking energy: -317.457
Base-Backbone interact. energy: -0.918
local terms energy: -303.830059
where:
bonds (distance) C4'-P energy: -52.636
bonds (distance) P-C4' energy: -62.058
flat angles C4'-P-C4' energy: -59.479
flat angles P-C4'-P energy: -39.663
tors. eta vs tors. theta energy: -89.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -966.106007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.106007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.106007 (E_RNA)
where:
Base-Base interactions energy: -678.077
where: short stacking energy: -293.049
Base-Backbone interact. energy: 0.882
local terms energy: -288.910824
where:
bonds (distance) C4'-P energy: -49.891
bonds (distance) P-C4' energy: -48.949
flat angles C4'-P-C4' energy: -64.582
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -78.519
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: 5, replica: 9
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -871.436287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.436287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.436287 (E_RNA)
where:
Base-Base interactions energy: -592.919
where: short stacking energy: -247.063
Base-Backbone interact. energy: -2.457
local terms energy: -276.059869
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -51.489
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: -68.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -923.613394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.613394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.613394 (E_RNA)
where:
Base-Base interactions energy: -633.784
where: short stacking energy: -288.557
Base-Backbone interact. energy: -0.254
local terms energy: -289.575251
where:
bonds (distance) C4'-P energy: -45.581
bonds (distance) P-C4' energy: -49.574
flat angles C4'-P-C4' energy: -68.306
flat angles P-C4'-P energy: -47.446
tors. eta vs tors. theta energy: -78.668
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: 5
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -832.405189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.405189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.405189 (E_RNA)
where:
Base-Base interactions energy: -566.074
where: short stacking energy: -247.654
Base-Backbone interact. energy: -1.684
local terms energy: -264.646962
where:
bonds (distance) C4'-P energy: -45.425
bonds (distance) P-C4' energy: -59.363
flat angles C4'-P-C4' energy: -55.489
flat angles P-C4'-P energy: -38.891
tors. eta vs tors. theta energy: -65.479
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: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -642.091370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.091370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.091370 (E_RNA)
where:
Base-Base interactions energy: -417.298
where: short stacking energy: -184.720
Base-Backbone interact. energy: -2.386
local terms energy: -222.407406
where:
bonds (distance) C4'-P energy: -40.226
bonds (distance) P-C4' energy: -44.148
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -40.198
tors. eta vs tors. theta energy: -42.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -415.214385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.214385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.214385 (E_RNA)
where:
Base-Base interactions energy: -239.883
where: short stacking energy: -117.189
Base-Backbone interact. energy: -1.651
local terms energy: -173.679642
where:
bonds (distance) C4'-P energy: -36.492
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -29.842
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -396.854897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.854897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.854897 (E_RNA)
where:
Base-Base interactions energy: -216.979
where: short stacking energy: -131.769
Base-Backbone interact. energy: 1.604
local terms energy: -181.479672
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -43.969
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1147.319187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.319187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.319187 (E_RNA)
where:
Base-Base interactions energy: -820.478
where: short stacking energy: -351.627
Base-Backbone interact. energy: -1.618
local terms energy: -325.223617
where:
bonds (distance) C4'-P energy: -65.677
bonds (distance) P-C4' energy: -55.858
flat angles C4'-P-C4' energy: -66.217
flat angles P-C4'-P energy: -40.109
tors. eta vs tors. theta energy: -97.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1094.496203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.496203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.496203 (E_RNA)
where:
Base-Base interactions energy: -770.159
where: short stacking energy: -340.892
Base-Backbone interact. energy: -0.719
local terms energy: -323.617869
where:
bonds (distance) C4'-P energy: -55.616
bonds (distance) P-C4' energy: -62.113
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -102.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1023.788781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.788781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.788781 (E_RNA)
where:
Base-Base interactions energy: -697.959
where: short stacking energy: -296.983
Base-Backbone interact. energy: -2.066
local terms energy: -323.763199
where:
bonds (distance) C4'-P energy: -64.760
bonds (distance) P-C4' energy: -62.781
flat angles C4'-P-C4' energy: -64.337
flat angles P-C4'-P energy: -49.651
tors. eta vs tors. theta energy: -82.234
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: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -992.983425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.983425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.983425 (E_RNA)
where:
Base-Base interactions energy: -692.371
where: short stacking energy: -292.359
Base-Backbone interact. energy: -1.114
local terms energy: -299.498859
where:
bonds (distance) C4'-P energy: -56.757
bonds (distance) P-C4' energy: -52.755
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -84.338
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: 5, replica: 9
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -931.437072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.437072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.437072 (E_RNA)
where:
Base-Base interactions energy: -638.170
where: short stacking energy: -302.368
Base-Backbone interact. energy: -0.136
local terms energy: -293.131375
where:
bonds (distance) C4'-P energy: -53.018
bonds (distance) P-C4' energy: -55.829
flat angles C4'-P-C4' energy: -70.972
flat angles P-C4'-P energy: -30.534
tors. eta vs tors. theta energy: -82.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -924.639109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.639109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.639109 (E_RNA)
where:
Base-Base interactions energy: -651.301
where: short stacking energy: -284.824
Base-Backbone interact. energy: 0.247
local terms energy: -273.585165
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -47.425
flat angles C4'-P-C4' energy: -58.532
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -72.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -825.875128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.875128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.875128 (E_RNA)
where:
Base-Base interactions energy: -567.733
where: short stacking energy: -249.136
Base-Backbone interact. energy: 0.835
local terms energy: -258.976577
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -61.413
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -40.058
tors. eta vs tors. theta energy: -53.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -627.278412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.278412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.278412 (E_RNA)
where:
Base-Base interactions energy: -405.861
where: short stacking energy: -178.498
Base-Backbone interact. energy: -1.231
local terms energy: -220.186549
where:
bonds (distance) C4'-P energy: -60.459
bonds (distance) P-C4' energy: -46.389
flat angles C4'-P-C4' energy: -48.451
flat angles P-C4'-P energy: -24.065
tors. eta vs tors. theta energy: -40.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -527.061743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.061743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.061743 (E_RNA)
where:
Base-Base interactions energy: -301.784
where: short stacking energy: -157.258
Base-Backbone interact. energy: 1.268
local terms energy: -226.545388
where:
bonds (distance) C4'-P energy: -58.160
bonds (distance) P-C4' energy: -61.592
flat angles C4'-P-C4' energy: -48.905
flat angles P-C4'-P energy: -28.906
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -390.899925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.899925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.899925 (E_RNA)
where:
Base-Base interactions energy: -216.704
where: short stacking energy: -110.791
Base-Backbone interact. energy: -0.520
local terms energy: -173.675929
where:
bonds (distance) C4'-P energy: -38.120
bonds (distance) P-C4' energy: -44.115
flat angles C4'-P-C4' energy: -44.070
flat angles P-C4'-P energy: -35.320
tors. eta vs tors. theta energy: -12.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1155.893847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.893847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.893847 (E_RNA)
where:
Base-Base interactions energy: -834.616
where: short stacking energy: -358.314
Base-Backbone interact. energy: -0.967
local terms energy: -320.310281
where:
bonds (distance) C4'-P energy: -59.282
bonds (distance) P-C4' energy: -57.892
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -40.579
tors. eta vs tors. theta energy: -96.354
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: 6
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1087.539002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.539002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.539002 (E_RNA)
where:
Base-Base interactions energy: -753.140
where: short stacking energy: -334.288
Base-Backbone interact. energy: -0.789
local terms energy: -333.610236
where:
bonds (distance) C4'-P energy: -54.053
bonds (distance) P-C4' energy: -65.193
flat angles C4'-P-C4' energy: -68.243
flat angles P-C4'-P energy: -50.362
tors. eta vs tors. theta energy: -95.760
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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1033.526003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.526003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.526003 (E_RNA)
where:
Base-Base interactions energy: -718.800
where: short stacking energy: -305.534
Base-Backbone interact. energy: -2.180
local terms energy: -312.545979
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -55.933
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -42.673
tors. eta vs tors. theta energy: -87.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -989.730747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.730747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.730747 (E_RNA)
where:
Base-Base interactions energy: -687.295
where: short stacking energy: -283.016
Base-Backbone interact. energy: 1.023
local terms energy: -303.458773
where:
bonds (distance) C4'-P energy: -59.670
bonds (distance) P-C4' energy: -58.193
flat angles C4'-P-C4' energy: -66.653
flat angles P-C4'-P energy: -39.947
tors. eta vs tors. theta energy: -78.995
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: 236
Temperature: 1.100000
Total energy: -942.022846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.022846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.022846 (E_RNA)
where:
Base-Base interactions energy: -668.974
where: short stacking energy: -265.705
Base-Backbone interact. energy: 0.322
local terms energy: -273.370860
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -50.629
flat angles C4'-P-C4' energy: -58.527
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -68.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -912.960018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.960018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.960018 (E_RNA)
where:
Base-Base interactions energy: -615.894
where: short stacking energy: -284.220
Base-Backbone interact. energy: -1.831
local terms energy: -295.234924
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -51.330
flat angles C4'-P-C4' energy: -62.161
flat angles P-C4'-P energy: -52.514
tors. eta vs tors. theta energy: -79.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -822.466906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.466906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.466906 (E_RNA)
where:
Base-Base interactions energy: -546.730
where: short stacking energy: -244.135
Base-Backbone interact. energy: -0.745
local terms energy: -274.992399
where:
bonds (distance) C4'-P energy: -49.792
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -37.518
tors. eta vs tors. theta energy: -68.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -671.482590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.482590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.482590 (E_RNA)
where:
Base-Base interactions energy: -408.729
where: short stacking energy: -182.349
Base-Backbone interact. energy: -0.348
local terms energy: -262.405269
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -56.479
flat angles C4'-P-C4' energy: -62.211
flat angles P-C4'-P energy: -43.273
tors. eta vs tors. theta energy: -48.161
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: 9, replica: 8
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -481.824251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.824251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.824251 (E_RNA)
where:
Base-Base interactions energy: -285.406
where: short stacking energy: -153.252
Base-Backbone interact. energy: -0.998
local terms energy: -195.420701
where:
bonds (distance) C4'-P energy: -33.980
bonds (distance) P-C4' energy: -63.746
flat angles C4'-P-C4' energy: -45.530
flat angles P-C4'-P energy: -24.739
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -399.346989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.346989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.346989 (E_RNA)
where:
Base-Base interactions energy: -212.343
where: short stacking energy: -130.677
Base-Backbone interact. energy: -3.181
local terms energy: -183.823033
where:
bonds (distance) C4'-P energy: -61.080
bonds (distance) P-C4' energy: -45.011
flat angles C4'-P-C4' energy: -32.562
flat angles P-C4'-P energy: -28.231
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1165.099078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.099078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.099078 (E_RNA)
where:
Base-Base interactions energy: -813.200
where: short stacking energy: -347.364
Base-Backbone interact. energy: -1.762
local terms energy: -350.136350
where:
bonds (distance) C4'-P energy: -68.557
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -74.523
flat angles P-C4'-P energy: -44.359
tors. eta vs tors. theta energy: -101.325
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: 6
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1071.918715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.918715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.918715 (E_RNA)
where:
Base-Base interactions energy: -727.575
where: short stacking energy: -321.473
Base-Backbone interact. energy: 1.123
local terms energy: -345.466183
where:
bonds (distance) C4'-P energy: -63.385
bonds (distance) P-C4' energy: -73.694
flat angles C4'-P-C4' energy: -69.826
flat angles P-C4'-P energy: -41.242
tors. eta vs tors. theta energy: -97.319
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: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1060.976968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.976968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.976968 (E_RNA)
where:
Base-Base interactions energy: -730.597
where: short stacking energy: -320.292
Base-Backbone interact. energy: -3.024
local terms energy: -327.355553
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -60.989
flat angles C4'-P-C4' energy: -70.070
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -100.071
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: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1014.253379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.253379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.253379 (E_RNA)
where:
Base-Base interactions energy: -717.550
where: short stacking energy: -308.544
Base-Backbone interact. energy: -1.685
local terms energy: -295.017972
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -54.947
flat angles C4'-P-C4' energy: -63.684
flat angles P-C4'-P energy: -38.830
tors. eta vs tors. theta energy: -83.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -935.752102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.752102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.752102 (E_RNA)
where:
Base-Base interactions energy: -654.868
where: short stacking energy: -268.600
Base-Backbone interact. energy: -0.900
local terms energy: -279.984723
where:
bonds (distance) C4'-P energy: -50.446
bonds (distance) P-C4' energy: -61.024
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -61.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -899.137319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.137319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.137319 (E_RNA)
where:
Base-Base interactions energy: -611.416
where: short stacking energy: -267.501
Base-Backbone interact. energy: -0.198
local terms energy: -287.523003
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -47.205
flat angles C4'-P-C4' energy: -65.291
flat angles P-C4'-P energy: -34.654
tors. eta vs tors. theta energy: -84.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -860.443603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.443603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.443603 (E_RNA)
where:
Base-Base interactions energy: -591.442
where: short stacking energy: -254.180
Base-Backbone interact. energy: -1.575
local terms energy: -267.426670
where:
bonds (distance) C4'-P energy: -57.643
bonds (distance) P-C4' energy: -43.545
flat angles C4'-P-C4' energy: -53.083
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -72.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -684.767899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.767899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.767899 (E_RNA)
where:
Base-Base interactions energy: -446.051
where: short stacking energy: -204.189
Base-Backbone interact. energy: 1.118
local terms energy: -239.834673
where:
bonds (distance) C4'-P energy: -47.537
bonds (distance) P-C4' energy: -51.378
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -36.794
tors. eta vs tors. theta energy: -45.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -451.609500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.609500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.609500 (E_RNA)
where:
Base-Base interactions energy: -273.744
where: short stacking energy: -139.470
Base-Backbone interact. energy: 0.942
local terms energy: -178.807172
where:
bonds (distance) C4'-P energy: -52.001
bonds (distance) P-C4' energy: -40.295
flat angles C4'-P-C4' energy: -41.000
flat angles P-C4'-P energy: -27.848
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -385.909478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.909478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.909478 (E_RNA)
where:
Base-Base interactions energy: -207.892
where: short stacking energy: -118.656
Base-Backbone interact. energy: -1.214
local terms energy: -176.803339
where:
bonds (distance) C4'-P energy: -45.123
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -53.007
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -10.773
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: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1151.841934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.841934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.841934 (E_RNA)
where:
Base-Base interactions energy: -809.735
where: short stacking energy: -327.325
Base-Backbone interact. energy: -1.903
local terms energy: -340.203951
where:
bonds (distance) C4'-P energy: -59.110
bonds (distance) P-C4' energy: -68.441
flat angles C4'-P-C4' energy: -76.922
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -96.286
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: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1087.729285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.729285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.729285 (E_RNA)
where:
Base-Base interactions energy: -752.545
where: short stacking energy: -338.312
Base-Backbone interact. energy: -0.695
local terms energy: -334.489286
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -57.481
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -40.854
tors. eta vs tors. theta energy: -108.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1022.961346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.961346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.961346 (E_RNA)
where:
Base-Base interactions energy: -721.696
where: short stacking energy: -312.821
Base-Backbone interact. energy: -0.326
local terms energy: -300.939097
where:
bonds (distance) C4'-P energy: -50.525
bonds (distance) P-C4' energy: -56.427
flat angles C4'-P-C4' energy: -62.713
flat angles P-C4'-P energy: -42.556
tors. eta vs tors. theta energy: -88.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1012.134918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.134918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.134918 (E_RNA)
where:
Base-Base interactions energy: -715.821
where: short stacking energy: -305.631
Base-Backbone interact. energy: -1.226
local terms energy: -295.087599
where:
bonds (distance) C4'-P energy: -54.190
bonds (distance) P-C4' energy: -52.997
flat angles C4'-P-C4' energy: -57.245
flat angles P-C4'-P energy: -48.157
tors. eta vs tors. theta energy: -82.498
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: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -967.448930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.448930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.448930 (E_RNA)
where:
Base-Base interactions energy: -677.684
where: short stacking energy: -285.300
Base-Backbone interact. energy: -0.285
local terms energy: -289.479455
where:
bonds (distance) C4'-P energy: -51.217
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -65.157
flat angles P-C4'-P energy: -42.524
tors. eta vs tors. theta energy: -76.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -895.334001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.334001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.334001 (E_RNA)
where:
Base-Base interactions energy: -613.944
where: short stacking energy: -262.990
Base-Backbone interact. energy: 1.601
local terms energy: -282.991447
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -69.605
flat angles P-C4'-P energy: -42.060
tors. eta vs tors. theta energy: -64.985
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -829.443930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.443930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.443930 (E_RNA)
where:
Base-Base interactions energy: -549.841
where: short stacking energy: -243.060
Base-Backbone interact. energy: -1.215
local terms energy: -278.387882
where:
bonds (distance) C4'-P energy: -58.678
bonds (distance) P-C4' energy: -48.125
flat angles C4'-P-C4' energy: -63.635
flat angles P-C4'-P energy: -39.153
tors. eta vs tors. theta energy: -68.797
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: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -656.267299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.267299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.267299 (E_RNA)
where:
Base-Base interactions energy: -438.406
where: short stacking energy: -207.931
Base-Backbone interact. energy: -2.514
local terms energy: -215.347207
where:
bonds (distance) C4'-P energy: -38.566
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -42.144
flat angles P-C4'-P energy: -38.660
tors. eta vs tors. theta energy: -44.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -478.702762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.702762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.702762 (E_RNA)
where:
Base-Base interactions energy: -299.805
where: short stacking energy: -148.313
Base-Backbone interact. energy: -2.543
local terms energy: -176.354113
where:
bonds (distance) C4'-P energy: -48.855
bonds (distance) P-C4' energy: -51.208
flat angles C4'-P-C4' energy: -46.483
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: -7.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -362.703760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.703760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.703760 (E_RNA)
where:
Base-Base interactions energy: -166.926
where: short stacking energy: -107.154
Base-Backbone interact. energy: -1.237
local terms energy: -194.540202
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -52.817
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -11.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1127.501381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.501381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.501381 (E_RNA)
where:
Base-Base interactions energy: -808.357
where: short stacking energy: -335.648
Base-Backbone interact. energy: -2.082
local terms energy: -317.062584
where:
bonds (distance) C4'-P energy: -51.560
bonds (distance) P-C4' energy: -62.634
flat angles C4'-P-C4' energy: -70.596
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -95.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1098.203832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.203832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.203832 (E_RNA)
where:
Base-Base interactions energy: -767.497
where: short stacking energy: -344.259
Base-Backbone interact. energy: 0.007
local terms energy: -330.714007
where:
bonds (distance) C4'-P energy: -67.262
bonds (distance) P-C4' energy: -57.201
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -42.447
tors. eta vs tors. theta energy: -95.429
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: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1033.879027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.879027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.879027 (E_RNA)
where:
Base-Base interactions energy: -700.116
where: short stacking energy: -308.998
Base-Backbone interact. energy: -0.828
local terms energy: -332.934879
where:
bonds (distance) C4'-P energy: -59.180
bonds (distance) P-C4' energy: -62.484
flat angles C4'-P-C4' energy: -67.127
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -93.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1041.264073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.264073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.264073 (E_RNA)
where:
Base-Base interactions energy: -753.141
where: short stacking energy: -314.911
Base-Backbone interact. energy: 0.579
local terms energy: -288.702193
where:
bonds (distance) C4'-P energy: -58.592
bonds (distance) P-C4' energy: -53.830
flat angles C4'-P-C4' energy: -49.272
flat angles P-C4'-P energy: -40.025
tors. eta vs tors. theta energy: -86.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -974.828410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.828410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.828410 (E_RNA)
where:
Base-Base interactions energy: -676.332
where: short stacking energy: -283.162
Base-Backbone interact. energy: -1.361
local terms energy: -297.135352
where:
bonds (distance) C4'-P energy: -59.299
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -66.811
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -80.033
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: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -909.540266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.540266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.540266 (E_RNA)
where:
Base-Base interactions energy: -622.919
where: short stacking energy: -275.725
Base-Backbone interact. energy: -1.233
local terms energy: -285.388269
where:
bonds (distance) C4'-P energy: -47.038
bonds (distance) P-C4' energy: -58.519
flat angles C4'-P-C4' energy: -61.239
flat angles P-C4'-P energy: -39.529
tors. eta vs tors. theta energy: -79.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -867.485596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.485596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.485596 (E_RNA)
where:
Base-Base interactions energy: -604.182
where: short stacking energy: -267.071
Base-Backbone interact. energy: -1.917
local terms energy: -261.386326
where:
bonds (distance) C4'-P energy: -54.712
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -56.664
flat angles P-C4'-P energy: -24.192
tors. eta vs tors. theta energy: -73.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -716.185366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.185366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.185366 (E_RNA)
where:
Base-Base interactions energy: -459.351
where: short stacking energy: -215.190
Base-Backbone interact. energy: -0.839
local terms energy: -255.995552
where:
bonds (distance) C4'-P energy: -45.014
bonds (distance) P-C4' energy: -58.126
flat angles C4'-P-C4' energy: -53.762
flat angles P-C4'-P energy: -35.727
tors. eta vs tors. theta energy: -63.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -520.363184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.363184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.363184 (E_RNA)
where:
Base-Base interactions energy: -316.562
where: short stacking energy: -172.257
Base-Backbone interact. energy: -0.917
local terms energy: -202.884629
where:
bonds (distance) C4'-P energy: -44.373
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -49.865
flat angles P-C4'-P energy: -22.817
tors. eta vs tors. theta energy: -30.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -342.444538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.444538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.444538 (E_RNA)
where:
Base-Base interactions energy: -168.839
where: short stacking energy: -101.806
Base-Backbone interact. energy: 0.231
local terms energy: -173.836321
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -36.006
flat angles P-C4'-P energy: -31.767
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1137.308917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.308917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.308917 (E_RNA)
where:
Base-Base interactions energy: -791.600
where: short stacking energy: -346.562
Base-Backbone interact. energy: 2.158
local terms energy: -347.867368
where:
bonds (distance) C4'-P energy: -62.066
bonds (distance) P-C4' energy: -65.702
flat angles C4'-P-C4' energy: -70.868
flat angles P-C4'-P energy: -47.648
tors. eta vs tors. theta energy: -101.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1074.683511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.683511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.683511 (E_RNA)
where:
Base-Base interactions energy: -736.818
where: short stacking energy: -331.041
Base-Backbone interact. energy: -1.424
local terms energy: -336.441647
where:
bonds (distance) C4'-P energy: -57.974
bonds (distance) P-C4' energy: -58.560
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -52.428
tors. eta vs tors. theta energy: -99.670
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: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1050.452489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.452489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.452489 (E_RNA)
where:
Base-Base interactions energy: -746.079
where: short stacking energy: -312.415
Base-Backbone interact. energy: 0.930
local terms energy: -305.303055
where:
bonds (distance) C4'-P energy: -55.452
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -66.041
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -84.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1003.451331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.451331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.451331 (E_RNA)
where:
Base-Base interactions energy: -693.857
where: short stacking energy: -301.480
Base-Backbone interact. energy: -0.969
local terms energy: -308.624464
where:
bonds (distance) C4'-P energy: -51.806
bonds (distance) P-C4' energy: -57.395
flat angles C4'-P-C4' energy: -72.833
flat angles P-C4'-P energy: -40.354
tors. eta vs tors. theta energy: -86.236
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: 9
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -925.106783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.106783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.106783 (E_RNA)
where:
Base-Base interactions energy: -621.929
where: short stacking energy: -293.049
Base-Backbone interact. energy: -1.424
local terms energy: -301.754350
where:
bonds (distance) C4'-P energy: -55.111
bonds (distance) P-C4' energy: -52.784
flat angles C4'-P-C4' energy: -63.660
flat angles P-C4'-P energy: -53.513
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: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -951.869867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.869867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.869867 (E_RNA)
where:
Base-Base interactions energy: -664.337
where: short stacking energy: -292.601
Base-Backbone interact. energy: -0.601
local terms energy: -286.931837
where:
bonds (distance) C4'-P energy: -37.487
bonds (distance) P-C4' energy: -62.702
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -50.230
tors. eta vs tors. theta energy: -75.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -855.000708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.000708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.000708 (E_RNA)
where:
Base-Base interactions energy: -603.113
where: short stacking energy: -274.213
Base-Backbone interact. energy: 0.491
local terms energy: -252.379003
where:
bonds (distance) C4'-P energy: -50.188
bonds (distance) P-C4' energy: -47.039
flat angles C4'-P-C4' energy: -54.372
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: -66.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -639.118822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.118822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.118822 (E_RNA)
where:
Base-Base interactions energy: -401.920
where: short stacking energy: -192.186
Base-Backbone interact. energy: 1.333
local terms energy: -238.531946
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -48.579
flat angles C4'-P-C4' energy: -59.547
flat angles P-C4'-P energy: -33.308
tors. eta vs tors. theta energy: -46.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -510.307363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.307363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.307363 (E_RNA)
where:
Base-Base interactions energy: -306.166
where: short stacking energy: -163.924
Base-Backbone interact. energy: -1.104
local terms energy: -203.037496
where:
bonds (distance) C4'-P energy: -44.531
bonds (distance) P-C4' energy: -59.166
flat angles C4'-P-C4' energy: -51.822
flat angles P-C4'-P energy: -23.427
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -338.896987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.896987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.896987 (E_RNA)
where:
Base-Base interactions energy: -172.925
where: short stacking energy: -114.091
Base-Backbone interact. energy: -0.659
local terms energy: -165.312597
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -59.240
flat angles C4'-P-C4' energy: -41.605
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1149.620224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.620224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.620224 (E_RNA)
where:
Base-Base interactions energy: -811.193
where: short stacking energy: -342.701
Base-Backbone interact. energy: -1.890
local terms energy: -336.537140
where:
bonds (distance) C4'-P energy: -64.705
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -74.130
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -98.917
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: 2, replica: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1081.808782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.808782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.808782 (E_RNA)
where:
Base-Base interactions energy: -750.268
where: short stacking energy: -325.447
Base-Backbone interact. energy: -0.996
local terms energy: -330.544357
where:
bonds (distance) C4'-P energy: -66.349
bonds (distance) P-C4' energy: -62.291
flat angles C4'-P-C4' energy: -65.923
flat angles P-C4'-P energy: -45.073
tors. eta vs tors. theta energy: -90.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1028.500195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.500195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.500195 (E_RNA)
where:
Base-Base interactions energy: -715.486
where: short stacking energy: -325.732
Base-Backbone interact. energy: -0.938
local terms energy: -312.076980
where:
bonds (distance) C4'-P energy: -55.756
bonds (distance) P-C4' energy: -57.227
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -49.612
tors. eta vs tors. theta energy: -87.980
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: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -996.895582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.895582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.895582 (E_RNA)
where:
Base-Base interactions energy: -689.743
where: short stacking energy: -302.662
Base-Backbone interact. energy: -5.008
local terms energy: -302.143824
where:
bonds (distance) C4'-P energy: -54.365
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -63.890
flat angles P-C4'-P energy: -44.416
tors. eta vs tors. theta energy: -85.195
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: 9
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -884.519635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.519635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.519635 (E_RNA)
where:
Base-Base interactions energy: -612.012
where: short stacking energy: -272.192
Base-Backbone interact. energy: -2.055
local terms energy: -270.452958
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -41.153
tors. eta vs tors. theta energy: -59.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -843.881733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.881733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.881733 (E_RNA)
where:
Base-Base interactions energy: -579.235
where: short stacking energy: -249.302
Base-Backbone interact. energy: -1.586
local terms energy: -263.061111
where:
bonds (distance) C4'-P energy: -53.963
bonds (distance) P-C4' energy: -57.504
flat angles C4'-P-C4' energy: -52.325
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -68.474
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: 2
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -904.798967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.798967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.798967 (E_RNA)
where:
Base-Base interactions energy: -624.665
where: short stacking energy: -271.487
Base-Backbone interact. energy: 3.006
local terms energy: -283.139973
where:
bonds (distance) C4'-P energy: -57.107
bonds (distance) P-C4' energy: -53.548
flat angles C4'-P-C4' energy: -57.872
flat angles P-C4'-P energy: -39.582
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: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -628.291814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.291814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.291814 (E_RNA)
where:
Base-Base interactions energy: -368.979
where: short stacking energy: -172.227
Base-Backbone interact. energy: -1.595
local terms energy: -257.717531
where:
bonds (distance) C4'-P energy: -62.441
bonds (distance) P-C4' energy: -58.949
flat angles C4'-P-C4' energy: -56.129
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -33.615
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: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -562.443277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.443277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.443277 (E_RNA)
where:
Base-Base interactions energy: -338.875
where: short stacking energy: -163.293
Base-Backbone interact. energy: -0.873
local terms energy: -222.695751
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -61.567
flat angles C4'-P-C4' energy: -48.095
flat angles P-C4'-P energy: -29.705
tors. eta vs tors. theta energy: -29.715
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: 10, replica: 4
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -349.537145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.537145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.537145 (E_RNA)
where:
Base-Base interactions energy: -166.825
where: short stacking energy: -113.398
Base-Backbone interact. energy: -0.401
local terms energy: -182.311164
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -48.481
flat angles P-C4'-P energy: -24.970
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1137.319946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.319946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.319946 (E_RNA)
where:
Base-Base interactions energy: -811.453
where: short stacking energy: -336.933
Base-Backbone interact. energy: 1.960
local terms energy: -327.827073
where:
bonds (distance) C4'-P energy: -57.282
bonds (distance) P-C4' energy: -62.147
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -40.890
tors. eta vs tors. theta energy: -102.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1086.432886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.432886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.432886 (E_RNA)
where:
Base-Base interactions energy: -765.891
where: short stacking energy: -331.423
Base-Backbone interact. energy: -2.013
local terms energy: -318.528698
where:
bonds (distance) C4'-P energy: -54.790
bonds (distance) P-C4' energy: -61.343
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -31.836
tors. eta vs tors. theta energy: -105.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1040.219573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.219573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.219573 (E_RNA)
where:
Base-Base interactions energy: -719.292
where: short stacking energy: -302.954
Base-Backbone interact. energy: -0.856
local terms energy: -320.071716
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -65.881
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -47.066
tors. eta vs tors. theta energy: -80.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1001.629931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.629931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.629931 (E_RNA)
where:
Base-Base interactions energy: -692.464
where: short stacking energy: -307.855
Base-Backbone interact. energy: -1.273
local terms energy: -307.892847
where:
bonds (distance) C4'-P energy: -62.219
bonds (distance) P-C4' energy: -52.481
flat angles C4'-P-C4' energy: -63.722
flat angles P-C4'-P energy: -51.573
tors. eta vs tors. theta energy: -77.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -927.790180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.790180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.790180 (E_RNA)
where:
Base-Base interactions energy: -637.478
where: short stacking energy: -279.374
Base-Backbone interact. energy: -1.073
local terms energy: -289.239129
where:
bonds (distance) C4'-P energy: -52.488
bonds (distance) P-C4' energy: -56.923
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -41.058
tors. eta vs tors. theta energy: -74.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -810.099098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.099098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.099098 (E_RNA)
where:
Base-Base interactions energy: -532.491
where: short stacking energy: -247.506
Base-Backbone interact. energy: 0.286
local terms energy: -277.893355
where:
bonds (distance) C4'-P energy: -52.325
bonds (distance) P-C4' energy: -54.798
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -34.518
tors. eta vs tors. theta energy: -73.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -917.980159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.980159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.980159 (E_RNA)
where:
Base-Base interactions energy: -643.843
where: short stacking energy: -273.860
Base-Backbone interact. energy: -1.111
local terms energy: -273.026922
where:
bonds (distance) C4'-P energy: -47.943
bonds (distance) P-C4' energy: -53.240
flat angles C4'-P-C4' energy: -57.520
flat angles P-C4'-P energy: -40.417
tors. eta vs tors. theta energy: -73.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -633.631823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.631823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.631823 (E_RNA)
where:
Base-Base interactions energy: -396.896
where: short stacking energy: -197.810
Base-Backbone interact. energy: 1.601
local terms energy: -238.336432
where:
bonds (distance) C4'-P energy: -52.671
bonds (distance) P-C4' energy: -58.051
flat angles C4'-P-C4' energy: -52.209
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -46.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -564.211732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.211732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.211732 (E_RNA)
where:
Base-Base interactions energy: -347.728
where: short stacking energy: -166.180
Base-Backbone interact. energy: -1.804
local terms energy: -214.679765
where:
bonds (distance) C4'-P energy: -58.608
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -55.792
flat angles P-C4'-P energy: -25.585
tors. eta vs tors. theta energy: -23.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -316.002217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.002217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.002217 (E_RNA)
where:
Base-Base interactions energy: -141.749
where: short stacking energy: -82.600
Base-Backbone interact. energy: -0.294
local terms energy: -173.959636
where:
bonds (distance) C4'-P energy: -58.984
bonds (distance) P-C4' energy: -47.361
flat angles C4'-P-C4' energy: -43.276
flat angles P-C4'-P energy: -27.945
tors. eta vs tors. theta energy: 3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1144.712933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.712933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.712933 (E_RNA)
where:
Base-Base interactions energy: -796.250
where: short stacking energy: -336.594
Base-Backbone interact. energy: -0.071
local terms energy: -348.392581
where:
bonds (distance) C4'-P energy: -62.466
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -70.367
flat angles P-C4'-P energy: -49.398
tors. eta vs tors. theta energy: -107.307
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: 6
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1101.622142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.622142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.622142 (E_RNA)
where:
Base-Base interactions energy: -757.089
where: short stacking energy: -346.788
Base-Backbone interact. energy: -1.816
local terms energy: -342.717338
where:
bonds (distance) C4'-P energy: -59.953
bonds (distance) P-C4' energy: -62.493
flat angles C4'-P-C4' energy: -72.444
flat angles P-C4'-P energy: -38.100
tors. eta vs tors. theta energy: -109.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1045.128706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.128706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.128706 (E_RNA)
where:
Base-Base interactions energy: -730.677
where: short stacking energy: -322.696
Base-Backbone interact. energy: -0.962
local terms energy: -313.490288
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -61.494
flat angles C4'-P-C4' energy: -69.322
flat angles P-C4'-P energy: -47.394
tors. eta vs tors. theta energy: -85.443
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: 9
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -933.476661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.476661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.476661 (E_RNA)
where:
Base-Base interactions energy: -638.439
where: short stacking energy: -286.990
Base-Backbone interact. energy: -0.258
local terms energy: -294.779739
where:
bonds (distance) C4'-P energy: -43.532
bonds (distance) P-C4' energy: -65.241
flat angles C4'-P-C4' energy: -69.354
flat angles P-C4'-P energy: -40.419
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: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -913.627001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.627001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.627001 (E_RNA)
where:
Base-Base interactions energy: -622.012
where: short stacking energy: -267.632
Base-Backbone interact. energy: 0.623
local terms energy: -292.237973
where:
bonds (distance) C4'-P energy: -66.712
bonds (distance) P-C4' energy: -49.790
flat angles C4'-P-C4' energy: -60.420
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -76.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -934.709238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.709238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.709238 (E_RNA)
where:
Base-Base interactions energy: -660.785
where: short stacking energy: -272.228
Base-Backbone interact. energy: -0.803
local terms energy: -273.121237
where:
bonds (distance) C4'-P energy: -58.735
bonds (distance) P-C4' energy: -49.973
flat angles C4'-P-C4' energy: -53.480
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -68.372
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -774.048271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.048271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.048271 (E_RNA)
where:
Base-Base interactions energy: -533.967
where: short stacking energy: -242.772
Base-Backbone interact. energy: 2.416
local terms energy: -242.497717
where:
bonds (distance) C4'-P energy: -52.982
bonds (distance) P-C4' energy: -39.933
flat angles C4'-P-C4' energy: -57.234
flat angles P-C4'-P energy: -30.863
tors. eta vs tors. theta energy: -61.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -608.972107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.972107 (E_RNA)
where:
Base-Base interactions energy: -386.775
where: short stacking energy: -188.944
Base-Backbone interact. energy: -1.926
local terms energy: -220.271656
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -40.869
flat angles C4'-P-C4' energy: -57.444
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -530.909673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.909673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.909673 (E_RNA)
where:
Base-Base interactions energy: -330.610
where: short stacking energy: -166.061
Base-Backbone interact. energy: -0.408
local terms energy: -199.891553
where:
bonds (distance) C4'-P energy: -46.719
bonds (distance) P-C4' energy: -44.062
flat angles C4'-P-C4' energy: -54.241
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -270.017313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.017313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.017313 (E_RNA)
where:
Base-Base interactions energy: -93.157
where: short stacking energy: -72.391
Base-Backbone interact. energy: -1.083
local terms energy: -175.777040
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: 5.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1146.312121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.312121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.312121 (E_RNA)
where:
Base-Base interactions energy: -797.966
where: short stacking energy: -332.917
Base-Backbone interact. energy: -0.575
local terms energy: -347.771135
where:
bonds (distance) C4'-P energy: -68.952
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -69.089
flat angles P-C4'-P energy: -52.739
tors. eta vs tors. theta energy: -96.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -1089.714422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.714422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.714422 (E_RNA)
where:
Base-Base interactions energy: -750.830
where: short stacking energy: -343.774
Base-Backbone interact. energy: -0.750
local terms energy: -338.134250
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -64.916
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -43.154
tors. eta vs tors. theta energy: -93.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1019.938704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.938704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.938704 (E_RNA)
where:
Base-Base interactions energy: -699.827
where: short stacking energy: -319.387
Base-Backbone interact. energy: 0.791
local terms energy: -320.903091
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -66.880
flat angles C4'-P-C4' energy: -62.231
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: -93.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -956.774141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.774141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.774141 (E_RNA)
where:
Base-Base interactions energy: -662.431
where: short stacking energy: -281.396
Base-Backbone interact. energy: -0.840
local terms energy: -293.502710
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -54.906
flat angles C4'-P-C4' energy: -59.221
flat angles P-C4'-P energy: -42.276
tors. eta vs tors. theta energy: -78.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -954.447306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.447306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.447306 (E_RNA)
where:
Base-Base interactions energy: -681.947
where: short stacking energy: -299.417
Base-Backbone interact. energy: -0.518
local terms energy: -271.982296
where:
bonds (distance) C4'-P energy: -39.565
bonds (distance) P-C4' energy: -52.831
flat angles C4'-P-C4' energy: -63.880
flat angles P-C4'-P energy: -45.881
tors. eta vs tors. theta energy: -69.825
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: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -876.022913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.022913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.022913 (E_RNA)
where:
Base-Base interactions energy: -593.708
where: short stacking energy: -261.234
Base-Backbone interact. energy: -2.311
local terms energy: -280.003381
where:
bonds (distance) C4'-P energy: -55.326
bonds (distance) P-C4' energy: -57.762
flat angles C4'-P-C4' energy: -56.999
flat angles P-C4'-P energy: -38.383
tors. eta vs tors. theta energy: -71.534
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -749.615456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.615456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.615456 (E_RNA)
where:
Base-Base interactions energy: -501.970
where: short stacking energy: -224.000
Base-Backbone interact. energy: 2.386
local terms energy: -250.030888
where:
bonds (distance) C4'-P energy: -51.651
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -54.373
flat angles P-C4'-P energy: -36.309
tors. eta vs tors. theta energy: -55.959
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: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -661.775409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.775409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.775409 (E_RNA)
where:
Base-Base interactions energy: -443.891
where: short stacking energy: -197.935
Base-Backbone interact. energy: 0.003
local terms energy: -217.887848
where:
bonds (distance) C4'-P energy: -43.380
bonds (distance) P-C4' energy: -48.224
flat angles C4'-P-C4' energy: -49.110
flat angles P-C4'-P energy: -31.323
tors. eta vs tors. theta energy: -45.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -528.390487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.390487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.390487 (E_RNA)
where:
Base-Base interactions energy: -326.616
where: short stacking energy: -156.613
Base-Backbone interact. energy: 0.146
local terms energy: -201.919751
where:
bonds (distance) C4'-P energy: -43.880
bonds (distance) P-C4' energy: -48.156
flat angles C4'-P-C4' energy: -47.903
flat angles P-C4'-P energy: -27.114
tors. eta vs tors. theta energy: -34.866
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: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -295.532653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.532653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.532653 (E_RNA)
where:
Base-Base interactions energy: -138.551
where: short stacking energy: -102.652
Base-Backbone interact. energy: -0.774
local terms energy: -156.208348
where:
bonds (distance) C4'-P energy: -47.752
bonds (distance) P-C4' energy: -29.837
flat angles C4'-P-C4' energy: -49.139
flat angles P-C4'-P energy: -23.339
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1147.074162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.074162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.074162 (E_RNA)
where:
Base-Base interactions energy: -806.014
where: short stacking energy: -340.751
Base-Backbone interact. energy: -2.261
local terms energy: -338.799580
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -62.872
flat angles C4'-P-C4' energy: -72.075
flat angles P-C4'-P energy: -40.334
tors. eta vs tors. theta energy: -100.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1088.371813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.371813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.371813 (E_RNA)
where:
Base-Base interactions energy: -761.565
where: short stacking energy: -346.026
Base-Backbone interact. energy: 0.108
local terms energy: -326.915180
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -65.885
flat angles P-C4'-P energy: -40.574
tors. eta vs tors. theta energy: -101.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1024.551382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.551382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.551382 (E_RNA)
where:
Base-Base interactions energy: -709.140
where: short stacking energy: -322.885
Base-Backbone interact. energy: 1.872
local terms energy: -317.282955
where:
bonds (distance) C4'-P energy: -57.315
bonds (distance) P-C4' energy: -58.878
flat angles C4'-P-C4' energy: -68.078
flat angles P-C4'-P energy: -44.186
tors. eta vs tors. theta energy: -88.826
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: 9
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -983.586479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.586479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.586479 (E_RNA)
where:
Base-Base interactions energy: -661.491
where: short stacking energy: -279.553
Base-Backbone interact. energy: -2.970
local terms energy: -319.125050
where:
bonds (distance) C4'-P energy: -65.177
bonds (distance) P-C4' energy: -60.155
flat angles C4'-P-C4' energy: -68.256
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -84.623
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -930.753213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.753213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.753213 (E_RNA)
where:
Base-Base interactions energy: -639.000
where: short stacking energy: -253.394
Base-Backbone interact. energy: -1.384
local terms energy: -290.368963
where:
bonds (distance) C4'-P energy: -58.547
bonds (distance) P-C4' energy: -53.341
flat angles C4'-P-C4' energy: -69.778
flat angles P-C4'-P energy: -45.689
tors. eta vs tors. theta energy: -63.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -857.624964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.624964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.624964 (E_RNA)
where:
Base-Base interactions energy: -596.675
where: short stacking energy: -275.085
Base-Backbone interact. energy: -0.561
local terms energy: -260.389113
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -44.224
flat angles C4'-P-C4' energy: -65.439
flat angles P-C4'-P energy: -41.992
tors. eta vs tors. theta energy: -74.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -760.273078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.273078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.273078 (E_RNA)
where:
Base-Base interactions energy: -515.581
where: short stacking energy: -245.759
Base-Backbone interact. energy: 0.268
local terms energy: -244.959686
where:
bonds (distance) C4'-P energy: -41.411
bonds (distance) P-C4' energy: -51.001
flat angles C4'-P-C4' energy: -63.005
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -63.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -646.668004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.668004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.668004 (E_RNA)
where:
Base-Base interactions energy: -396.496
where: short stacking energy: -196.129
Base-Backbone interact. energy: -0.842
local terms energy: -249.330374
where:
bonds (distance) C4'-P energy: -66.174
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -35.468
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: 245
Temperature: 1.300000
Total energy: -565.238613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.238613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.238613 (E_RNA)
where:
Base-Base interactions energy: -337.418
where: short stacking energy: -171.734
Base-Backbone interact. energy: -1.432
local terms energy: -226.387940
where:
bonds (distance) C4'-P energy: -43.366
bonds (distance) P-C4' energy: -61.350
flat angles C4'-P-C4' energy: -49.504
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -31.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -282.920228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.920228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.920228 (E_RNA)
where:
Base-Base interactions energy: -114.829
where: short stacking energy: -78.166
Base-Backbone interact. energy: -1.578
local terms energy: -166.512961
where:
bonds (distance) C4'-P energy: -48.957
bonds (distance) P-C4' energy: -57.801
flat angles C4'-P-C4' energy: -27.681
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1142.798193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.798193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.798193 (E_RNA)
where:
Base-Base interactions energy: -798.899
where: short stacking energy: -339.293
Base-Backbone interact. energy: 0.275
local terms energy: -344.174074
where:
bonds (distance) C4'-P energy: -61.281
bonds (distance) P-C4' energy: -64.712
flat angles C4'-P-C4' energy: -71.437
flat angles P-C4'-P energy: -45.762
tors. eta vs tors. theta energy: -100.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1094.793897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.793897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.793897 (E_RNA)
where:
Base-Base interactions energy: -765.761
where: short stacking energy: -349.272
Base-Backbone interact. energy: -2.257
local terms energy: -326.776104
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -61.401
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -41.006
tors. eta vs tors. theta energy: -103.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1049.374682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.374682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.374682 (E_RNA)
where:
Base-Base interactions energy: -726.509
where: short stacking energy: -327.839
Base-Backbone interact. energy: -2.686
local terms energy: -320.180037
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: -96.073
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: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -967.858519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.858519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.858519 (E_RNA)
where:
Base-Base interactions energy: -687.728
where: short stacking energy: -293.891
Base-Backbone interact. energy: -0.903
local terms energy: -279.226800
where:
bonds (distance) C4'-P energy: -44.111
bonds (distance) P-C4' energy: -51.931
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -32.450
tors. eta vs tors. theta energy: -85.359
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: 246
Temperature: 1.100000
Total energy: -985.816983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.816983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.816983 (E_RNA)
where:
Base-Base interactions energy: -689.839
where: short stacking energy: -288.943
Base-Backbone interact. energy: -0.610
local terms energy: -295.367875
where:
bonds (distance) C4'-P energy: -52.861
bonds (distance) P-C4' energy: -54.564
flat angles C4'-P-C4' energy: -63.670
flat angles P-C4'-P energy: -43.137
tors. eta vs tors. theta energy: -81.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -877.096145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.096145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.096145 (E_RNA)
where:
Base-Base interactions energy: -621.217
where: short stacking energy: -256.395
Base-Backbone interact. energy: -0.053
local terms energy: -255.825777
where:
bonds (distance) C4'-P energy: -43.302
bonds (distance) P-C4' energy: -51.597
flat angles C4'-P-C4' energy: -61.150
flat angles P-C4'-P energy: -27.941
tors. eta vs tors. theta energy: -71.836
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -785.913995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.913995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.913995 (E_RNA)
where:
Base-Base interactions energy: -528.709
where: short stacking energy: -245.067
Base-Backbone interact. energy: -0.997
local terms energy: -256.207513
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -45.972
flat angles C4'-P-C4' energy: -56.743
flat angles P-C4'-P energy: -31.598
tors. eta vs tors. theta energy: -71.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -616.114352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.114352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.114352 (E_RNA)
where:
Base-Base interactions energy: -385.662
where: short stacking energy: -191.427
Base-Backbone interact. energy: -1.090
local terms energy: -229.363220
where:
bonds (distance) C4'-P energy: -47.919
bonds (distance) P-C4' energy: -43.669
flat angles C4'-P-C4' energy: -50.757
flat angles P-C4'-P energy: -39.046
tors. eta vs tors. theta energy: -47.973
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: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -525.473734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.473734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.473734 (E_RNA)
where:
Base-Base interactions energy: -318.361
where: short stacking energy: -163.678
Base-Backbone interact. energy: -0.624
local terms energy: -206.488681
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -45.309
flat angles P-C4'-P energy: -27.670
tors. eta vs tors. theta energy: -29.660
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: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -259.277423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.277423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.277423 (E_RNA)
where:
Base-Base interactions energy: -107.749
where: short stacking energy: -102.523
Base-Backbone interact. energy: 2.199
local terms energy: -153.727352
where:
bonds (distance) C4'-P energy: -48.090
bonds (distance) P-C4' energy: -51.340
flat angles C4'-P-C4' energy: -31.909
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -3.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1145.890659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.890659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.890659 (E_RNA)
where:
Base-Base interactions energy: -808.696
where: short stacking energy: -347.531
Base-Backbone interact. energy: -0.519
local terms energy: -336.676235
where:
bonds (distance) C4'-P energy: -62.291
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -71.633
flat angles P-C4'-P energy: -48.027
tors. eta vs tors. theta energy: -100.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1086.595722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.595722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.595722 (E_RNA)
where:
Base-Base interactions energy: -744.810
where: short stacking energy: -321.416
Base-Backbone interact. energy: -2.080
local terms energy: -339.705561
where:
bonds (distance) C4'-P energy: -56.192
bonds (distance) P-C4' energy: -68.414
flat angles C4'-P-C4' energy: -71.920
flat angles P-C4'-P energy: -46.197
tors. eta vs tors. theta energy: -96.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1036.525299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.525299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.525299 (E_RNA)
where:
Base-Base interactions energy: -719.042
where: short stacking energy: -320.787
Base-Backbone interact. energy: 1.443
local terms energy: -318.926092
where:
bonds (distance) C4'-P energy: -53.058
bonds (distance) P-C4' energy: -59.955
flat angles C4'-P-C4' energy: -66.558
flat angles P-C4'-P energy: -44.641
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: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -972.430413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.430413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.430413 (E_RNA)
where:
Base-Base interactions energy: -682.073
where: short stacking energy: -285.327
Base-Backbone interact. energy: 5.649
local terms energy: -296.006649
where:
bonds (distance) C4'-P energy: -55.546
bonds (distance) P-C4' energy: -53.763
flat angles C4'-P-C4' energy: -68.458
flat angles P-C4'-P energy: -44.521
tors. eta vs tors. theta energy: -73.719
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: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -950.342395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.342395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.342395 (E_RNA)
where:
Base-Base interactions energy: -646.471
where: short stacking energy: -305.561
Base-Backbone interact. energy: -0.993
local terms energy: -302.878338
where:
bonds (distance) C4'-P energy: -47.709
bonds (distance) P-C4' energy: -53.118
flat angles C4'-P-C4' energy: -68.417
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -87.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -894.449680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.449680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.449680 (E_RNA)
where:
Base-Base interactions energy: -617.258
where: short stacking energy: -263.163
Base-Backbone interact. energy: -0.735
local terms energy: -276.456886
where:
bonds (distance) C4'-P energy: -45.380
bonds (distance) P-C4' energy: -50.493
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -42.871
tors. eta vs tors. theta energy: -73.141
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: 247
Temperature: 1.200000
Total energy: -734.730582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.730582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.730582 (E_RNA)
where:
Base-Base interactions energy: -494.030
where: short stacking energy: -239.527
Base-Backbone interact. energy: -0.451
local terms energy: -240.249716
where:
bonds (distance) C4'-P energy: -42.539
bonds (distance) P-C4' energy: -52.803
flat angles C4'-P-C4' energy: -49.023
flat angles P-C4'-P energy: -28.057
tors. eta vs tors. theta energy: -67.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -648.278840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.278840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.278840 (E_RNA)
where:
Base-Base interactions energy: -395.564
where: short stacking energy: -216.611
Base-Backbone interact. energy: -0.525
local terms energy: -252.189644
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -48.298
flat angles C4'-P-C4' energy: -58.110
flat angles P-C4'-P energy: -44.004
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: 9, replica: 8
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -527.918345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.918345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.918345 (E_RNA)
where:
Base-Base interactions energy: -309.397
where: short stacking energy: -139.910
Base-Backbone interact. energy: 1.029
local terms energy: -219.550066
where:
bonds (distance) C4'-P energy: -51.263
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -53.419
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -273.768525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.768525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.768525 (E_RNA)
where:
Base-Base interactions energy: -109.665
where: short stacking energy: -86.354
Base-Backbone interact. energy: -0.390
local terms energy: -163.713456
where:
bonds (distance) C4'-P energy: -46.779
bonds (distance) P-C4' energy: -51.272
flat angles C4'-P-C4' energy: -46.016
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: 2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1144.971794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.971794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.971794 (E_RNA)
where:
Base-Base interactions energy: -800.250
where: short stacking energy: -346.883
Base-Backbone interact. energy: -2.774
local terms energy: -341.947761
where:
bonds (distance) C4'-P energy: -63.235
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -71.120
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -97.721
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: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1091.031556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.031556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.031556 (E_RNA)
where:
Base-Base interactions energy: -762.623
where: short stacking energy: -351.136
Base-Backbone interact. energy: 0.906
local terms energy: -329.314273
where:
bonds (distance) C4'-P energy: -64.186
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -65.480
flat angles P-C4'-P energy: -36.955
tors. eta vs tors. theta energy: -101.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1059.050052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.050052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.050052 (E_RNA)
where:
Base-Base interactions energy: -736.728
where: short stacking energy: -333.630
Base-Backbone interact. energy: -0.953
local terms energy: -321.368755
where:
bonds (distance) C4'-P energy: -55.072
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -69.172
flat angles P-C4'-P energy: -47.287
tors. eta vs tors. theta energy: -89.030
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: 248
Temperature: 1.050000
Total energy: -1030.163973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.163973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.163973 (E_RNA)
where:
Base-Base interactions energy: -731.944
where: short stacking energy: -287.904
Base-Backbone interact. energy: -2.281
local terms energy: -295.939105
where:
bonds (distance) C4'-P energy: -57.231
bonds (distance) P-C4' energy: -62.922
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -81.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -926.501368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.501368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.501368 (E_RNA)
where:
Base-Base interactions energy: -643.657
where: short stacking energy: -282.759
Base-Backbone interact. energy: -0.756
local terms energy: -282.087642
where:
bonds (distance) C4'-P energy: -49.613
bonds (distance) P-C4' energy: -62.596
flat angles C4'-P-C4' energy: -58.091
flat angles P-C4'-P energy: -35.419
tors. eta vs tors. theta energy: -76.369
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: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -865.430702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.430702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.430702 (E_RNA)
where:
Base-Base interactions energy: -587.987
where: short stacking energy: -251.837
Base-Backbone interact. energy: -1.766
local terms energy: -275.678216
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -61.210
flat angles C4'-P-C4' energy: -64.205
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -63.838
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: 248
Temperature: 1.200000
Total energy: -670.389451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.389451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.389451 (E_RNA)
where:
Base-Base interactions energy: -416.355
where: short stacking energy: -210.191
Base-Backbone interact. energy: -2.048
local terms energy: -251.986892
where:
bonds (distance) C4'-P energy: -59.187
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -52.741
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -43.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -701.059596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.059596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.059596 (E_RNA)
where:
Base-Base interactions energy: -469.314
where: short stacking energy: -220.290
Base-Backbone interact. energy: 0.026
local terms energy: -231.771775
where:
bonds (distance) C4'-P energy: -51.866
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -47.636
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -50.853
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: 8
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -505.535550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.535550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.535550 (E_RNA)
where:
Base-Base interactions energy: -305.541
where: short stacking energy: -142.245
Base-Backbone interact. energy: -1.545
local terms energy: -198.449403
where:
bonds (distance) C4'-P energy: -57.550
bonds (distance) P-C4' energy: -51.315
flat angles C4'-P-C4' energy: -31.584
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -20.009
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: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -249.781365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.781365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.781365 (E_RNA)
where:
Base-Base interactions energy: -98.986
where: short stacking energy: -93.939
Base-Backbone interact. energy: 1.272
local terms energy: -152.066622
where:
bonds (distance) C4'-P energy: -34.765
bonds (distance) P-C4' energy: -65.272
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -29.463
tors. eta vs tors. theta energy: -6.406
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: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1145.372510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.372510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.372510 (E_RNA)
where:
Base-Base interactions energy: -812.060
where: short stacking energy: -326.145
Base-Backbone interact. energy: -1.474
local terms energy: -331.838302
where:
bonds (distance) C4'-P energy: -59.666
bonds (distance) P-C4' energy: -62.040
flat angles C4'-P-C4' energy: -66.870
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -97.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1089.352527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.352527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.352527 (E_RNA)
where:
Base-Base interactions energy: -776.855
where: short stacking energy: -343.198
Base-Backbone interact. energy: -2.677
local terms energy: -309.820201
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -97.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1055.919846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.919846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.919846 (E_RNA)
where:
Base-Base interactions energy: -751.556
where: short stacking energy: -325.366
Base-Backbone interact. energy: 2.872
local terms energy: -307.236493
where:
bonds (distance) C4'-P energy: -58.998
bonds (distance) P-C4' energy: -45.420
flat angles C4'-P-C4' energy: -68.274
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -92.044
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: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1002.389381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.389381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.389381 (E_RNA)
where:
Base-Base interactions energy: -695.998
where: short stacking energy: -301.557
Base-Backbone interact. energy: -0.402
local terms energy: -305.989462
where:
bonds (distance) C4'-P energy: -65.428
bonds (distance) P-C4' energy: -50.069
flat angles C4'-P-C4' energy: -69.168
flat angles P-C4'-P energy: -42.208
tors. eta vs tors. theta energy: -79.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -922.068248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.068248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.068248 (E_RNA)
where:
Base-Base interactions energy: -636.123
where: short stacking energy: -279.732
Base-Backbone interact. energy: -1.621
local terms energy: -284.324669
where:
bonds (distance) C4'-P energy: -49.421
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -51.762
flat angles P-C4'-P energy: -41.831
tors. eta vs tors. theta energy: -81.581
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: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -846.677255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.677255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.677255 (E_RNA)
where:
Base-Base interactions energy: -573.872
where: short stacking energy: -249.746
Base-Backbone interact. energy: -1.169
local terms energy: -271.636891
where:
bonds (distance) C4'-P energy: -43.078
bonds (distance) P-C4' energy: -49.309
flat angles C4'-P-C4' energy: -63.508
flat angles P-C4'-P energy: -45.973
tors. eta vs tors. theta energy: -69.768
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: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -671.178364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.178364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.178364 (E_RNA)
where:
Base-Base interactions energy: -421.600
where: short stacking energy: -207.197
Base-Backbone interact. energy: -1.558
local terms energy: -248.020404
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -63.150
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -30.328
tors. eta vs tors. theta energy: -44.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -660.721856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.721856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.721856 (E_RNA)
where:
Base-Base interactions energy: -414.530
where: short stacking energy: -195.644
Base-Backbone interact. energy: -0.600
local terms energy: -245.592265
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -47.327
flat angles C4'-P-C4' energy: -60.181
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -47.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -519.628162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.628162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.628162 (E_RNA)
where:
Base-Base interactions energy: -316.836
where: short stacking energy: -164.130
Base-Backbone interact. energy: -0.730
local terms energy: -202.061963
where:
bonds (distance) C4'-P energy: -40.658
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -48.404
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -259.709444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.709444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.709444 (E_RNA)
where:
Base-Base interactions energy: -95.964
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.617
local terms energy: -163.127519
where:
bonds (distance) C4'-P energy: -38.943
bonds (distance) P-C4' energy: -61.002
flat angles C4'-P-C4' energy: -41.295
flat angles P-C4'-P energy: -26.850
tors. eta vs tors. theta energy: 4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1154.819490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.819490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.819490 (E_RNA)
where:
Base-Base interactions energy: -798.886
where: short stacking energy: -349.104
Base-Backbone interact. energy: -1.695
local terms energy: -354.238491
where:
bonds (distance) C4'-P energy: -66.100
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -68.541
flat angles P-C4'-P energy: -51.380
tors. eta vs tors. theta energy: -102.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1087.507798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.507798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.507798 (E_RNA)
where:
Base-Base interactions energy: -764.908
where: short stacking energy: -341.873
Base-Backbone interact. energy: -0.679
local terms energy: -321.921512
where:
bonds (distance) C4'-P energy: -62.359
bonds (distance) P-C4' energy: -58.172
flat angles C4'-P-C4' energy: -65.044
flat angles P-C4'-P energy: -39.812
tors. eta vs tors. theta energy: -96.535
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: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1052.694094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.694094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.694094 (E_RNA)
where:
Base-Base interactions energy: -740.923
where: short stacking energy: -319.642
Base-Backbone interact. energy: -1.524
local terms energy: -310.247285
where:
bonds (distance) C4'-P energy: -58.349
bonds (distance) P-C4' energy: -53.909
flat angles C4'-P-C4' energy: -67.752
flat angles P-C4'-P energy: -49.598
tors. eta vs tors. theta energy: -80.639
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: 250
Temperature: 1.050000
Total energy: -1020.854126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.854126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.854126 (E_RNA)
where:
Base-Base interactions energy: -742.411
where: short stacking energy: -303.127
Base-Backbone interact. energy: 0.082
local terms energy: -278.525982
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -61.528
flat angles P-C4'-P energy: -34.298
tors. eta vs tors. theta energy: -78.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -925.251117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.251117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.251117 (E_RNA)
where:
Base-Base interactions energy: -650.329
where: short stacking energy: -290.629
Base-Backbone interact. energy: 2.029
local terms energy: -276.950811
where:
bonds (distance) C4'-P energy: -43.829
bonds (distance) P-C4' energy: -53.229
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -42.229
tors. eta vs tors. theta energy: -81.245
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: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -855.806497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.806497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.806497 (E_RNA)
where:
Base-Base interactions energy: -582.058
where: short stacking energy: -267.502
Base-Backbone interact. energy: -0.973
local terms energy: -272.775101
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -55.871
flat angles C4'-P-C4' energy: -56.840
flat angles P-C4'-P energy: -36.161
tors. eta vs tors. theta energy: -72.352
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: 250
Temperature: 1.200000
Total energy: -723.567484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.567484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.567484 (E_RNA)
where:
Base-Base interactions energy: -464.321
where: short stacking energy: -217.087
Base-Backbone interact. energy: 2.421
local terms energy: -261.667453
where:
bonds (distance) C4'-P energy: -55.928
bonds (distance) P-C4' energy: -56.370
flat angles C4'-P-C4' energy: -58.504
flat angles P-C4'-P energy: -40.875
tors. eta vs tors. theta energy: -49.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -649.289704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.289704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.289704 (E_RNA)
where:
Base-Base interactions energy: -410.338
where: short stacking energy: -196.928
Base-Backbone interact. energy: -1.769
local terms energy: -237.182773
where:
bonds (distance) C4'-P energy: -47.821
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -54.678
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -45.642
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: 250
Temperature: 1.300000
Total energy: -535.423821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.423821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.423821 (E_RNA)
where:
Base-Base interactions energy: -343.377
where: short stacking energy: -154.121
Base-Backbone interact. energy: -1.139
local terms energy: -190.908237
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -48.708
flat angles C4'-P-C4' energy: -45.033
flat angles P-C4'-P energy: -24.071
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -274.491989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.491989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.491989 (E_RNA)
where:
Base-Base interactions energy: -94.341
where: short stacking energy: -83.124
Base-Backbone interact. energy: 0.993
local terms energy: -181.143316
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -55.018
flat angles C4'-P-C4' energy: -47.091
flat angles P-C4'-P energy: -21.762
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1149.543649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.543649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.543649 (E_RNA)
where:
Base-Base interactions energy: -811.233
where: short stacking energy: -353.077
Base-Backbone interact. energy: -0.615
local terms energy: -337.694778
where:
bonds (distance) C4'-P energy: -55.920
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -71.225
flat angles P-C4'-P energy: -46.764
tors. eta vs tors. theta energy: -101.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1057.970687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.970687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.970687 (E_RNA)
where:
Base-Base interactions energy: -737.906
where: short stacking energy: -311.501
Base-Backbone interact. energy: -0.980
local terms energy: -319.084722
where:
bonds (distance) C4'-P energy: -59.152
bonds (distance) P-C4' energy: -57.766
flat angles C4'-P-C4' energy: -68.826
flat angles P-C4'-P energy: -45.435
tors. eta vs tors. theta energy: -87.905
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: 6
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1060.192723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.192723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.192723 (E_RNA)
where:
Base-Base interactions energy: -734.004
where: short stacking energy: -327.985
Base-Backbone interact. energy: -0.611
local terms energy: -325.578063
where:
bonds (distance) C4'-P energy: -54.920
bonds (distance) P-C4' energy: -60.347
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -38.431
tors. eta vs tors. theta energy: -97.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1021.173809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.173809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.173809 (E_RNA)
where:
Base-Base interactions energy: -710.840
where: short stacking energy: -300.246
Base-Backbone interact. energy: -2.233
local terms energy: -308.100354
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -62.967
flat angles P-C4'-P energy: -46.122
tors. eta vs tors. theta energy: -87.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -908.248506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.248506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.248506 (E_RNA)
where:
Base-Base interactions energy: -619.824
where: short stacking energy: -253.237
Base-Backbone interact. energy: -0.917
local terms energy: -287.507400
where:
bonds (distance) C4'-P energy: -55.814
bonds (distance) P-C4' energy: -64.336
flat angles C4'-P-C4' energy: -61.865
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -68.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -903.163365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.163365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.163365 (E_RNA)
where:
Base-Base interactions energy: -616.042
where: short stacking energy: -242.950
Base-Backbone interact. energy: 1.747
local terms energy: -288.868042
where:
bonds (distance) C4'-P energy: -56.980
bonds (distance) P-C4' energy: -55.558
flat angles C4'-P-C4' energy: -61.368
flat angles P-C4'-P energy: -43.122
tors. eta vs tors. theta energy: -71.839
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: 251
Temperature: 1.200000
Total energy: -707.997524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.997524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.997524 (E_RNA)
where:
Base-Base interactions energy: -449.130
where: short stacking energy: -212.961
Base-Backbone interact. energy: -1.569
local terms energy: -257.297684
where:
bonds (distance) C4'-P energy: -44.970
bonds (distance) P-C4' energy: -58.631
flat angles C4'-P-C4' energy: -57.199
flat angles P-C4'-P energy: -41.182
tors. eta vs tors. theta energy: -55.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -616.692833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.692833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.692833 (E_RNA)
where:
Base-Base interactions energy: -403.046
where: short stacking energy: -200.401
Base-Backbone interact. energy: -1.647
local terms energy: -211.999425
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -47.582
flat angles C4'-P-C4' energy: -46.534
flat angles P-C4'-P energy: -28.950
tors. eta vs tors. theta energy: -45.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -555.778781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.778781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.778781 (E_RNA)
where:
Base-Base interactions energy: -334.756
where: short stacking energy: -164.473
Base-Backbone interact. energy: -1.291
local terms energy: -219.731871
where:
bonds (distance) C4'-P energy: -44.960
bonds (distance) P-C4' energy: -61.897
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: -22.605
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: 4
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -272.766691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.766691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.766691 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -84.186
Base-Backbone interact. energy: -0.979
local terms energy: -150.962136
where:
bonds (distance) C4'-P energy: -42.537
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -40.064
flat angles P-C4'-P energy: -18.768
tors. eta vs tors. theta energy: 5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1158.867226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.867226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.867226 (E_RNA)
where:
Base-Base interactions energy: -817.337
where: short stacking energy: -346.270
Base-Backbone interact. energy: 0.423
local terms energy: -341.952590
where:
bonds (distance) C4'-P energy: -62.417
bonds (distance) P-C4' energy: -62.704
flat angles C4'-P-C4' energy: -72.721
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -99.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1076.685981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.685981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.685981 (E_RNA)
where:
Base-Base interactions energy: -744.298
where: short stacking energy: -308.299
Base-Backbone interact. energy: -2.212
local terms energy: -330.176063
where:
bonds (distance) C4'-P energy: -65.302
bonds (distance) P-C4' energy: -66.382
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -82.744
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: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1051.694710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.694710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.694710 (E_RNA)
where:
Base-Base interactions energy: -734.508
where: short stacking energy: -322.765
Base-Backbone interact. energy: -0.304
local terms energy: -316.882105
where:
bonds (distance) C4'-P energy: -58.244
bonds (distance) P-C4' energy: -60.497
flat angles C4'-P-C4' energy: -60.826
flat angles P-C4'-P energy: -42.376
tors. eta vs tors. theta energy: -94.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1019.313403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.313403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.313403 (E_RNA)
where:
Base-Base interactions energy: -715.546
where: short stacking energy: -310.172
Base-Backbone interact. energy: -0.704
local terms energy: -303.063188
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -57.501
flat angles C4'-P-C4' energy: -65.090
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: -82.322
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: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -924.788305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.788305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.788305 (E_RNA)
where:
Base-Base interactions energy: -651.384
where: short stacking energy: -275.444
Base-Backbone interact. energy: -0.686
local terms energy: -272.718153
where:
bonds (distance) C4'-P energy: -55.469
bonds (distance) P-C4' energy: -44.488
flat angles C4'-P-C4' energy: -66.211
flat angles P-C4'-P energy: -35.708
tors. eta vs tors. theta energy: -70.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -876.538327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.538327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.538327 (E_RNA)
where:
Base-Base interactions energy: -600.387
where: short stacking energy: -255.967
Base-Backbone interact. energy: -0.672
local terms energy: -275.479127
where:
bonds (distance) C4'-P energy: -58.292
bonds (distance) P-C4' energy: -55.405
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -39.071
tors. eta vs tors. theta energy: -63.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -766.385556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.385556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.385556 (E_RNA)
where:
Base-Base interactions energy: -526.449
where: short stacking energy: -221.350
Base-Backbone interact. energy: -0.917
local terms energy: -239.019307
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -48.010
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -28.360
tors. eta vs tors. theta energy: -51.516
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -633.660725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.660725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.660725 (E_RNA)
where:
Base-Base interactions energy: -414.311
where: short stacking energy: -202.112
Base-Backbone interact. energy: 2.075
local terms energy: -221.425036
where:
bonds (distance) C4'-P energy: -48.555
bonds (distance) P-C4' energy: -52.839
flat angles C4'-P-C4' energy: -57.011
flat angles P-C4'-P energy: -24.155
tors. eta vs tors. theta energy: -38.866
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: 8
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -530.177259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.177259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.177259 (E_RNA)
where:
Base-Base interactions energy: -328.353
where: short stacking energy: -165.342
Base-Backbone interact. energy: 0.324
local terms energy: -202.148125
where:
bonds (distance) C4'-P energy: -47.191
bonds (distance) P-C4' energy: -49.577
flat angles C4'-P-C4' energy: -44.190
flat angles P-C4'-P energy: -40.327
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -275.179177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.179177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.179177 (E_RNA)
where:
Base-Base interactions energy: -101.069
where: short stacking energy: -81.632
Base-Backbone interact. energy: 0.495
local terms energy: -174.604815
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -53.169
flat angles C4'-P-C4' energy: -49.362
flat angles P-C4'-P energy: -22.416
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1156.685298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.685298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.685298 (E_RNA)
where:
Base-Base interactions energy: -812.693
where: short stacking energy: -352.626
Base-Backbone interact. energy: -0.968
local terms energy: -343.023796
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -69.103
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: -102.540
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: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1058.689798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.689798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.689798 (E_RNA)
where:
Base-Base interactions energy: -716.357
where: short stacking energy: -316.197
Base-Backbone interact. energy: -0.370
local terms energy: -341.962139
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -64.328
flat angles C4'-P-C4' energy: -70.752
flat angles P-C4'-P energy: -54.123
tors. eta vs tors. theta energy: -93.622
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: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1058.016130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.016130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.016130 (E_RNA)
where:
Base-Base interactions energy: -749.735
where: short stacking energy: -308.788
Base-Backbone interact. energy: 0.671
local terms energy: -308.952132
where:
bonds (distance) C4'-P energy: -51.420
bonds (distance) P-C4' energy: -63.535
flat angles C4'-P-C4' energy: -69.557
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -82.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -971.978402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.978402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.978402 (E_RNA)
where:
Base-Base interactions energy: -665.656
where: short stacking energy: -289.738
Base-Backbone interact. energy: -1.011
local terms energy: -305.311237
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -64.394
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -37.445
tors. eta vs tors. theta energy: -77.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1005.653264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.653264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.653264 (E_RNA)
where:
Base-Base interactions energy: -714.020
where: short stacking energy: -307.888
Base-Backbone interact. energy: 0.489
local terms energy: -292.122452
where:
bonds (distance) C4'-P energy: -46.706
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -68.634
flat angles P-C4'-P energy: -39.697
tors. eta vs tors. theta energy: -81.636
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: 9
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -894.488456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.488456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.488456 (E_RNA)
where:
Base-Base interactions energy: -623.231
where: short stacking energy: -250.609
Base-Backbone interact. energy: -1.790
local terms energy: -269.467470
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -57.805
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -39.240
tors. eta vs tors. theta energy: -66.809
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: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -818.410602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.410602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.410602 (E_RNA)
where:
Base-Base interactions energy: -550.696
where: short stacking energy: -252.340
Base-Backbone interact. energy: 0.037
local terms energy: -267.752044
where:
bonds (distance) C4'-P energy: -47.400
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -42.332
tors. eta vs tors. theta energy: -70.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -614.584971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.584971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.584971 (E_RNA)
where:
Base-Base interactions energy: -377.495
where: short stacking energy: -200.064
Base-Backbone interact. energy: 3.381
local terms energy: -240.471179
where:
bonds (distance) C4'-P energy: -53.878
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -56.474
flat angles P-C4'-P energy: -35.376
tors. eta vs tors. theta energy: -45.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -507.623677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.623677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.623677 (E_RNA)
where:
Base-Base interactions energy: -313.357
where: short stacking energy: -160.781
Base-Backbone interact. energy: 1.462
local terms energy: -195.729529
where:
bonds (distance) C4'-P energy: -50.703
bonds (distance) P-C4' energy: -57.545
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -15.485
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: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -355.065447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.065447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.065447 (E_RNA)
where:
Base-Base interactions energy: -173.953
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.993
local terms energy: -180.119942
where:
bonds (distance) C4'-P energy: -36.451
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -48.531
flat angles P-C4'-P energy: -26.309
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1157.363557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.363557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.363557 (E_RNA)
where:
Base-Base interactions energy: -834.710
where: short stacking energy: -345.238
Base-Backbone interact. energy: -0.572
local terms energy: -322.081541
where:
bonds (distance) C4'-P energy: -56.404
bonds (distance) P-C4' energy: -62.485
flat angles C4'-P-C4' energy: -65.275
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: -97.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1082.187459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.187459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.187459 (E_RNA)
where:
Base-Base interactions energy: -759.929
where: short stacking energy: -333.578
Base-Backbone interact. energy: -2.383
local terms energy: -319.875582
where:
bonds (distance) C4'-P energy: -63.095
bonds (distance) P-C4' energy: -51.196
flat angles C4'-P-C4' energy: -64.817
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -97.264
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: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1036.359196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.359196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.359196 (E_RNA)
where:
Base-Base interactions energy: -740.454
where: short stacking energy: -298.730
Base-Backbone interact. energy: -1.901
local terms energy: -294.004577
where:
bonds (distance) C4'-P energy: -48.545
bonds (distance) P-C4' energy: -51.366
flat angles C4'-P-C4' energy: -69.083
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -80.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -945.227776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.227776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.227776 (E_RNA)
where:
Base-Base interactions energy: -662.450
where: short stacking energy: -294.106
Base-Backbone interact. energy: -0.484
local terms energy: -282.293804
where:
bonds (distance) C4'-P energy: -48.464
bonds (distance) P-C4' energy: -50.674
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -43.513
tors. eta vs tors. theta energy: -78.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -978.877098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.877098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.877098 (E_RNA)
where:
Base-Base interactions energy: -679.233
where: short stacking energy: -284.928
Base-Backbone interact. energy: 2.337
local terms energy: -301.981167
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -58.846
flat angles C4'-P-C4' energy: -69.538
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -80.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -885.611309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.611309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.611309 (E_RNA)
where:
Base-Base interactions energy: -613.769
where: short stacking energy: -260.658
Base-Backbone interact. energy: -0.761
local terms energy: -271.082122
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -54.236
flat angles C4'-P-C4' energy: -58.918
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -67.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -796.210777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.210777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.210777 (E_RNA)
where:
Base-Base interactions energy: -545.886
where: short stacking energy: -235.100
Base-Backbone interact. energy: -1.666
local terms energy: -248.658350
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -46.080
flat angles C4'-P-C4' energy: -58.787
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -61.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -617.107708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.107708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.107708 (E_RNA)
where:
Base-Base interactions energy: -381.899
where: short stacking energy: -185.988
Base-Backbone interact. energy: -0.229
local terms energy: -234.979356
where:
bonds (distance) C4'-P energy: -49.547
bonds (distance) P-C4' energy: -61.480
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -34.388
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -527.559458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.559458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.559458 (E_RNA)
where:
Base-Base interactions energy: -322.642
where: short stacking energy: -164.894
Base-Backbone interact. energy: 0.175
local terms energy: -205.092009
where:
bonds (distance) C4'-P energy: -47.989
bonds (distance) P-C4' energy: -42.404
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -24.547
tors. eta vs tors. theta energy: -29.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -377.068702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.068702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.068702 (E_RNA)
where:
Base-Base interactions energy: -192.985
where: short stacking energy: -118.203
Base-Backbone interact. energy: -0.904
local terms energy: -183.180127
where:
bonds (distance) C4'-P energy: -49.376
bonds (distance) P-C4' energy: -48.793
flat angles C4'-P-C4' energy: -42.340
flat angles P-C4'-P energy: -41.105
tors. eta vs tors. theta energy: -1.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1158.682171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.682171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.682171 (E_RNA)
where:
Base-Base interactions energy: -829.171
where: short stacking energy: -330.279
Base-Backbone interact. energy: -0.600
local terms energy: -328.911262
where:
bonds (distance) C4'-P energy: -59.498
bonds (distance) P-C4' energy: -65.964
flat angles C4'-P-C4' energy: -68.089
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -96.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1057.351048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.351048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.351048 (E_RNA)
where:
Base-Base interactions energy: -745.607
where: short stacking energy: -318.762
Base-Backbone interact. energy: -1.287
local terms energy: -310.456717
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -60.700
flat angles C4'-P-C4' energy: -74.859
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -85.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1040.396680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.396680 (E_RNA)
where:
Base-Base interactions energy: -716.250
where: short stacking energy: -324.129
Base-Backbone interact. energy: -1.220
local terms energy: -322.926663
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -53.476
flat angles C4'-P-C4' energy: -70.063
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: -100.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -950.709898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.709898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.709898 (E_RNA)
where:
Base-Base interactions energy: -687.459
where: short stacking energy: -292.841
Base-Backbone interact. energy: 0.686
local terms energy: -263.937290
where:
bonds (distance) C4'-P energy: -46.623
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -63.648
flat angles P-C4'-P energy: -30.644
tors. eta vs tors. theta energy: -71.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -981.313532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.313532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.313532 (E_RNA)
where:
Base-Base interactions energy: -689.264
where: short stacking energy: -298.684
Base-Backbone interact. energy: -1.242
local terms energy: -290.806658
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -49.054
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -85.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -899.186370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.186370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.186370 (E_RNA)
where:
Base-Base interactions energy: -630.556
where: short stacking energy: -277.609
Base-Backbone interact. energy: 0.434
local terms energy: -269.064113
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -63.473
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -72.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -811.592652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.592652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.592652 (E_RNA)
where:
Base-Base interactions energy: -572.416
where: short stacking energy: -256.934
Base-Backbone interact. energy: -1.420
local terms energy: -237.756402
where:
bonds (distance) C4'-P energy: -46.379
bonds (distance) P-C4' energy: -41.865
flat angles C4'-P-C4' energy: -55.858
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -67.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -616.599189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.599189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.599189 (E_RNA)
where:
Base-Base interactions energy: -395.771
where: short stacking energy: -196.341
Base-Backbone interact. energy: -0.036
local terms energy: -220.792688
where:
bonds (distance) C4'-P energy: -46.537
bonds (distance) P-C4' energy: -59.173
flat angles C4'-P-C4' energy: -43.746
flat angles P-C4'-P energy: -33.411
tors. eta vs tors. theta energy: -37.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -530.338646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.338646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.338646 (E_RNA)
where:
Base-Base interactions energy: -338.042
where: short stacking energy: -151.088
Base-Backbone interact. energy: -1.517
local terms energy: -190.779923
where:
bonds (distance) C4'-P energy: -52.058
bonds (distance) P-C4' energy: -47.706
flat angles C4'-P-C4' energy: -47.019
flat angles P-C4'-P energy: -38.309
tors. eta vs tors. theta energy: -5.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -408.216433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.216433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.216433 (E_RNA)
where:
Base-Base interactions energy: -228.395
where: short stacking energy: -108.657
Base-Backbone interact. energy: -1.488
local terms energy: -178.333329
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -42.293
flat angles C4'-P-C4' energy: -42.228
flat angles P-C4'-P energy: -28.813
tors. eta vs tors. theta energy: -17.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1158.938962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.938962 (E_RNA)
where:
Base-Base interactions energy: -827.779
where: short stacking energy: -346.431
Base-Backbone interact. energy: -0.332
local terms energy: -330.827868
where:
bonds (distance) C4'-P energy: -57.315
bonds (distance) P-C4' energy: -64.539
flat angles C4'-P-C4' energy: -71.072
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: -98.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1052.146388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.146388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.146388 (E_RNA)
where:
Base-Base interactions energy: -736.746
where: short stacking energy: -303.137
Base-Backbone interact. energy: -1.614
local terms energy: -313.787020
where:
bonds (distance) C4'-P energy: -61.817
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -62.111
flat angles P-C4'-P energy: -50.048
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: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1044.959320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.959320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.959320 (E_RNA)
where:
Base-Base interactions energy: -718.850
where: short stacking energy: -327.843
Base-Backbone interact. energy: -1.394
local terms energy: -324.714576
where:
bonds (distance) C4'-P energy: -61.669
bonds (distance) P-C4' energy: -59.013
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -95.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -954.856246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.856246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.856246 (E_RNA)
where:
Base-Base interactions energy: -671.644
where: short stacking energy: -283.719
Base-Backbone interact. energy: -0.553
local terms energy: -282.659625
where:
bonds (distance) C4'-P energy: -52.239
bonds (distance) P-C4' energy: -56.158
flat angles C4'-P-C4' energy: -70.503
flat angles P-C4'-P energy: -26.826
tors. eta vs tors. theta energy: -76.933
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -968.673234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.673234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.673234 (E_RNA)
where:
Base-Base interactions energy: -673.174
where: short stacking energy: -305.273
Base-Backbone interact. energy: 0.941
local terms energy: -296.439966
where:
bonds (distance) C4'-P energy: -46.656
bonds (distance) P-C4' energy: -50.308
flat angles C4'-P-C4' energy: -71.075
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -87.361
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: 6, replica: 9
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -872.758989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.758989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.758989 (E_RNA)
where:
Base-Base interactions energy: -602.512
where: short stacking energy: -270.950
Base-Backbone interact. energy: -0.233
local terms energy: -270.014611
where:
bonds (distance) C4'-P energy: -42.140
bonds (distance) P-C4' energy: -60.019
flat angles C4'-P-C4' energy: -58.619
flat angles P-C4'-P energy: -42.293
tors. eta vs tors. theta energy: -66.944
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: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -825.332821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.332821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.332821 (E_RNA)
where:
Base-Base interactions energy: -545.873
where: short stacking energy: -245.145
Base-Backbone interact. energy: -0.603
local terms energy: -278.856490
where:
bonds (distance) C4'-P energy: -51.017
bonds (distance) P-C4' energy: -51.863
flat angles C4'-P-C4' energy: -66.112
flat angles P-C4'-P energy: -36.723
tors. eta vs tors. theta energy: -73.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -635.955831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.955831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.955831 (E_RNA)
where:
Base-Base interactions energy: -397.552
where: short stacking energy: -203.575
Base-Backbone interact. energy: 1.447
local terms energy: -239.850887
where:
bonds (distance) C4'-P energy: -54.733
bonds (distance) P-C4' energy: -50.745
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -30.062
tors. eta vs tors. theta energy: -47.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -585.271258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.271258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.271258 (E_RNA)
where:
Base-Base interactions energy: -356.061
where: short stacking energy: -175.507
Base-Backbone interact. energy: -0.036
local terms energy: -229.174383
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -59.238
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -32.569
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: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -395.603875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.603875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.603875 (E_RNA)
where:
Base-Base interactions energy: -219.887
where: short stacking energy: -103.347
Base-Backbone interact. energy: -1.995
local terms energy: -173.721925
where:
bonds (distance) C4'-P energy: -43.611
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -26.323
tors. eta vs tors. theta energy: -3.527
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: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1157.501623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.501623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.501623 (E_RNA)
where:
Base-Base interactions energy: -823.863
where: short stacking energy: -345.737
Base-Backbone interact. energy: -3.783
local terms energy: -329.856091
where:
bonds (distance) C4'-P energy: -50.838
bonds (distance) P-C4' energy: -68.191
flat angles C4'-P-C4' energy: -69.133
flat angles P-C4'-P energy: -47.563
tors. eta vs tors. theta energy: -94.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1087.812464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.812464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.812464 (E_RNA)
where:
Base-Base interactions energy: -765.198
where: short stacking energy: -315.900
Base-Backbone interact. energy: -1.141
local terms energy: -321.473437
where:
bonds (distance) C4'-P energy: -61.968
bonds (distance) P-C4' energy: -57.768
flat angles C4'-P-C4' energy: -77.536
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -84.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1022.842828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.842828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.842828 (E_RNA)
where:
Base-Base interactions energy: -704.931
where: short stacking energy: -323.315
Base-Backbone interact. energy: -0.305
local terms energy: -317.607808
where:
bonds (distance) C4'-P energy: -57.137
bonds (distance) P-C4' energy: -57.483
flat angles C4'-P-C4' energy: -62.731
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -97.145
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: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1012.457766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.457766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.457766 (E_RNA)
where:
Base-Base interactions energy: -718.744
where: short stacking energy: -307.467
Base-Backbone interact. energy: -0.642
local terms energy: -293.071758
where:
bonds (distance) C4'-P energy: -53.792
bonds (distance) P-C4' energy: -56.513
flat angles C4'-P-C4' energy: -56.728
flat angles P-C4'-P energy: -43.242
tors. eta vs tors. theta energy: -82.797
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -978.936638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.936638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.936638 (E_RNA)
where:
Base-Base interactions energy: -681.996
where: short stacking energy: -298.631
Base-Backbone interact. energy: -0.885
local terms energy: -296.054789
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -58.096
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -73.383
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: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -859.242295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.242295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.242295 (E_RNA)
where:
Base-Base interactions energy: -605.635
where: short stacking energy: -265.901
Base-Backbone interact. energy: 2.365
local terms energy: -255.972471
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -59.091
flat angles C4'-P-C4' energy: -53.408
flat angles P-C4'-P energy: -31.990
tors. eta vs tors. theta energy: -60.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -829.893034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.893034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.893034 (E_RNA)
where:
Base-Base interactions energy: -566.627
where: short stacking energy: -263.964
Base-Backbone interact. energy: -0.511
local terms energy: -262.754535
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -44.667
flat angles C4'-P-C4' energy: -63.872
flat angles P-C4'-P energy: -35.502
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: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -573.537791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.537791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.537791 (E_RNA)
where:
Base-Base interactions energy: -348.753
where: short stacking energy: -190.330
Base-Backbone interact. energy: 3.695
local terms energy: -228.479732
where:
bonds (distance) C4'-P energy: -59.671
bonds (distance) P-C4' energy: -48.200
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -30.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -590.662985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.662985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.662985 (E_RNA)
where:
Base-Base interactions energy: -390.257
where: short stacking energy: -195.355
Base-Backbone interact. energy: 0.261
local terms energy: -200.667835
where:
bonds (distance) C4'-P energy: -37.189
bonds (distance) P-C4' energy: -58.542
flat angles C4'-P-C4' energy: -39.798
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -44.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -516.570364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.570364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.570364 (E_RNA)
where:
Base-Base interactions energy: -316.644
where: short stacking energy: -157.352
Base-Backbone interact. energy: -1.435
local terms energy: -198.490655
where:
bonds (distance) C4'-P energy: -44.648
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -43.951
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -27.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1145.238803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.238803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.238803 (E_RNA)
where:
Base-Base interactions energy: -812.109
where: short stacking energy: -335.669
Base-Backbone interact. energy: -0.054
local terms energy: -333.075964
where:
bonds (distance) C4'-P energy: -57.365
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -69.835
flat angles P-C4'-P energy: -44.887
tors. eta vs tors. theta energy: -93.620
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: 2
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1092.799302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.799302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.799302 (E_RNA)
where:
Base-Base interactions energy: -780.346
where: short stacking energy: -317.732
Base-Backbone interact. energy: -1.578
local terms energy: -310.874789
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -68.484
flat angles P-C4'-P energy: -43.660
tors. eta vs tors. theta energy: -89.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1041.638082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.638082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.638082 (E_RNA)
where:
Base-Base interactions energy: -709.526
where: short stacking energy: -309.153
Base-Backbone interact. energy: -0.804
local terms energy: -331.308021
where:
bonds (distance) C4'-P energy: -67.578
bonds (distance) P-C4' energy: -53.680
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -92.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1020.307989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.307989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.307989 (E_RNA)
where:
Base-Base interactions energy: -720.926
where: short stacking energy: -318.410
Base-Backbone interact. energy: -1.418
local terms energy: -297.963800
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -59.377
flat angles C4'-P-C4' energy: -55.125
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -88.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -958.946558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.946558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.946558 (E_RNA)
where:
Base-Base interactions energy: -693.968
where: short stacking energy: -276.635
Base-Backbone interact. energy: 2.379
local terms energy: -267.357638
where:
bonds (distance) C4'-P energy: -48.105
bonds (distance) P-C4' energy: -43.642
flat angles C4'-P-C4' energy: -62.362
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -72.726
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: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -884.499052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.499052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.499052 (E_RNA)
where:
Base-Base interactions energy: -608.508
where: short stacking energy: -238.471
Base-Backbone interact. energy: -0.168
local terms energy: -275.823507
where:
bonds (distance) C4'-P energy: -54.744
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -61.267
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -73.458
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: 258
Temperature: 1.200000
Total energy: -860.345555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.345555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.345555 (E_RNA)
where:
Base-Base interactions energy: -585.742
where: short stacking energy: -256.227
Base-Backbone interact. energy: -1.157
local terms energy: -273.445872
where:
bonds (distance) C4'-P energy: -47.917
bonds (distance) P-C4' energy: -49.089
flat angles C4'-P-C4' energy: -59.867
flat angles P-C4'-P energy: -34.834
tors. eta vs tors. theta energy: -81.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -553.417405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.417405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.417405 (E_RNA)
where:
Base-Base interactions energy: -346.618
where: short stacking energy: -175.531
Base-Backbone interact. energy: -1.213
local terms energy: -205.587058
where:
bonds (distance) C4'-P energy: -38.207
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -51.900
flat angles P-C4'-P energy: -27.917
tors. eta vs tors. theta energy: -35.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -581.806610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.806610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.806610 (E_RNA)
where:
Base-Base interactions energy: -357.213
where: short stacking energy: -176.462
Base-Backbone interact. energy: -1.538
local terms energy: -223.056372
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -47.947
flat angles P-C4'-P energy: -32.416
tors. eta vs tors. theta energy: -32.715
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: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -502.664262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.664262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.664262 (E_RNA)
where:
Base-Base interactions energy: -312.443
where: short stacking energy: -144.371
Base-Backbone interact. energy: -2.218
local terms energy: -188.003170
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -40.594
flat angles C4'-P-C4' energy: -51.848
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1169.505257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.505257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.505257 (E_RNA)
where:
Base-Base interactions energy: -833.449
where: short stacking energy: -345.287
Base-Backbone interact. energy: -1.396
local terms energy: -334.660346
where:
bonds (distance) C4'-P energy: -68.388
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -103.805
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1079.456061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.456061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.456061 (E_RNA)
where:
Base-Base interactions energy: -759.352
where: short stacking energy: -317.368
Base-Backbone interact. energy: -0.545
local terms energy: -319.558893
where:
bonds (distance) C4'-P energy: -58.130
bonds (distance) P-C4' energy: -61.884
flat angles C4'-P-C4' energy: -72.145
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -89.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1055.263531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.263531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.263531 (E_RNA)
where:
Base-Base interactions energy: -725.606
where: short stacking energy: -328.394
Base-Backbone interact. energy: -1.894
local terms energy: -327.763292
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -59.597
flat angles C4'-P-C4' energy: -71.039
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -99.508
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: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1006.390930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.390930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.390930 (E_RNA)
where:
Base-Base interactions energy: -699.311
where: short stacking energy: -306.931
Base-Backbone interact. energy: 0.729
local terms energy: -307.809225
where:
bonds (distance) C4'-P energy: -52.627
bonds (distance) P-C4' energy: -59.845
flat angles C4'-P-C4' energy: -67.812
flat angles P-C4'-P energy: -45.358
tors. eta vs tors. theta energy: -82.166
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: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -969.784520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.784520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.784520 (E_RNA)
where:
Base-Base interactions energy: -673.402
where: short stacking energy: -281.256
Base-Backbone interact. energy: 0.073
local terms energy: -296.455906
where:
bonds (distance) C4'-P energy: -52.921
bonds (distance) P-C4' energy: -53.141
flat angles C4'-P-C4' energy: -75.295
flat angles P-C4'-P energy: -41.463
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: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -898.251337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.251337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.251337 (E_RNA)
where:
Base-Base interactions energy: -605.343
where: short stacking energy: -269.810
Base-Backbone interact. energy: -0.995
local terms energy: -291.913261
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -55.918
flat angles C4'-P-C4' energy: -63.832
flat angles P-C4'-P energy: -42.848
tors. eta vs tors. theta energy: -78.631
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: 5
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -827.775582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.775582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.775582 (E_RNA)
where:
Base-Base interactions energy: -559.914
where: short stacking energy: -242.570
Base-Backbone interact. energy: -0.206
local terms energy: -267.655134
where:
bonds (distance) C4'-P energy: -50.657
bonds (distance) P-C4' energy: -46.311
flat angles C4'-P-C4' energy: -60.276
flat angles P-C4'-P energy: -43.993
tors. eta vs tors. theta energy: -66.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -594.623990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.623990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.623990 (E_RNA)
where:
Base-Base interactions energy: -367.150
where: short stacking energy: -183.239
Base-Backbone interact. energy: 3.219
local terms energy: -230.693173
where:
bonds (distance) C4'-P energy: -52.520
bonds (distance) P-C4' energy: -44.770
flat angles C4'-P-C4' energy: -53.886
flat angles P-C4'-P energy: -34.317
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -643.114613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.114613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.114613 (E_RNA)
where:
Base-Base interactions energy: -428.633
where: short stacking energy: -200.990
Base-Backbone interact. energy: -1.222
local terms energy: -213.260219
where:
bonds (distance) C4'-P energy: -48.714
bonds (distance) P-C4' energy: -41.533
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -30.007
tors. eta vs tors. theta energy: -36.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -507.272700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.272700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.272700 (E_RNA)
where:
Base-Base interactions energy: -311.883
where: short stacking energy: -163.195
Base-Backbone interact. energy: 5.561
local terms energy: -200.950100
where:
bonds (distance) C4'-P energy: -40.091
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -45.745
flat angles P-C4'-P energy: -37.591
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1150.910365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.910365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.910365 (E_RNA)
where:
Base-Base interactions energy: -818.477
where: short stacking energy: -350.385
Base-Backbone interact. energy: -1.488
local terms energy: -330.944740
where:
bonds (distance) C4'-P energy: -64.361
bonds (distance) P-C4' energy: -65.638
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -38.231
tors. eta vs tors. theta energy: -97.393
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: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1072.643015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.643015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.643015 (E_RNA)
where:
Base-Base interactions energy: -748.099
where: short stacking energy: -319.285
Base-Backbone interact. energy: -0.821
local terms energy: -323.723486
where:
bonds (distance) C4'-P energy: -70.515
bonds (distance) P-C4' energy: -63.092
flat angles C4'-P-C4' energy: -56.281
flat angles P-C4'-P energy: -45.812
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: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1044.656736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.656736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.656736 (E_RNA)
where:
Base-Base interactions energy: -743.086
where: short stacking energy: -316.930
Base-Backbone interact. energy: -1.475
local terms energy: -300.095849
where:
bonds (distance) C4'-P energy: -56.371
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -65.717
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -89.599
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1036.732239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.732239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.732239 (E_RNA)
where:
Base-Base interactions energy: -722.643
where: short stacking energy: -319.842
Base-Backbone interact. energy: -0.517
local terms energy: -313.571476
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -62.121
flat angles C4'-P-C4' energy: -66.510
flat angles P-C4'-P energy: -37.971
tors. eta vs tors. theta energy: -92.263
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -953.850742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.850742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.850742 (E_RNA)
where:
Base-Base interactions energy: -675.173
where: short stacking energy: -280.869
Base-Backbone interact. energy: 0.366
local terms energy: -279.043730
where:
bonds (distance) C4'-P energy: -57.338
bonds (distance) P-C4' energy: -55.180
flat angles C4'-P-C4' energy: -61.688
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: -75.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -877.787138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.787138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.787138 (E_RNA)
where:
Base-Base interactions energy: -608.624
where: short stacking energy: -275.024
Base-Backbone interact. energy: -1.328
local terms energy: -267.835423
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -40.607
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -42.853
tors. eta vs tors. theta energy: -73.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -871.171510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.171510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.171510 (E_RNA)
where:
Base-Base interactions energy: -589.527
where: short stacking energy: -257.857
Base-Backbone interact. energy: 0.867
local terms energy: -282.511423
where:
bonds (distance) C4'-P energy: -59.055
bonds (distance) P-C4' energy: -46.706
flat angles C4'-P-C4' energy: -59.964
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -70.985
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: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -643.981066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.981066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.981066 (E_RNA)
where:
Base-Base interactions energy: -396.405
where: short stacking energy: -205.366
Base-Backbone interact. energy: 2.893
local terms energy: -250.469848
where:
bonds (distance) C4'-P energy: -49.046
bonds (distance) P-C4' energy: -56.493
flat angles C4'-P-C4' energy: -57.229
flat angles P-C4'-P energy: -39.569
tors. eta vs tors. theta energy: -48.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -567.925834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.925834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.925834 (E_RNA)
where:
Base-Base interactions energy: -347.929
where: short stacking energy: -158.315
Base-Backbone interact. energy: -1.570
local terms energy: -218.427568
where:
bonds (distance) C4'-P energy: -51.411
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -50.246
flat angles P-C4'-P energy: -40.099
tors. eta vs tors. theta energy: -22.475
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: 4
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -510.843657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.843657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.843657 (E_RNA)
where:
Base-Base interactions energy: -311.372
where: short stacking energy: -150.976
Base-Backbone interact. energy: -1.632
local terms energy: -197.839390
where:
bonds (distance) C4'-P energy: -46.322
bonds (distance) P-C4' energy: -59.940
flat angles C4'-P-C4' energy: -37.399
flat angles P-C4'-P energy: -30.059
tors. eta vs tors. theta energy: -24.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1155.150591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.150591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.150591 (E_RNA)
where:
Base-Base interactions energy: -811.963
where: short stacking energy: -352.677
Base-Backbone interact. energy: 0.399
local terms energy: -343.586572
where:
bonds (distance) C4'-P energy: -59.075
bonds (distance) P-C4' energy: -63.237
flat angles C4'-P-C4' energy: -70.764
flat angles P-C4'-P energy: -50.420
tors. eta vs tors. theta energy: -100.091
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: 261
Temperature: 0.950000
Total energy: -1079.442329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.442329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.442329 (E_RNA)
where:
Base-Base interactions energy: -760.835
where: short stacking energy: -336.924
Base-Backbone interact. energy: -0.884
local terms energy: -317.723727
where:
bonds (distance) C4'-P energy: -52.574
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -78.596
flat angles P-C4'-P energy: -39.512
tors. eta vs tors. theta energy: -89.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1069.968301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.968301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.968301 (E_RNA)
where:
Base-Base interactions energy: -771.262
where: short stacking energy: -337.308
Base-Backbone interact. energy: -1.012
local terms energy: -297.693762
where:
bonds (distance) C4'-P energy: -54.102
bonds (distance) P-C4' energy: -60.720
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -34.274
tors. eta vs tors. theta energy: -89.492
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: 4, replica: 6
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1016.639702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.639702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.639702 (E_RNA)
where:
Base-Base interactions energy: -708.692
where: short stacking energy: -312.659
Base-Backbone interact. energy: -0.305
local terms energy: -307.643304
where:
bonds (distance) C4'-P energy: -67.562
bonds (distance) P-C4' energy: -49.980
flat angles C4'-P-C4' energy: -63.521
flat angles P-C4'-P energy: -37.830
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: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -960.391882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.391882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.391882 (E_RNA)
where:
Base-Base interactions energy: -647.486
where: short stacking energy: -281.243
Base-Backbone interact. energy: -0.714
local terms energy: -312.192362
where:
bonds (distance) C4'-P energy: -58.119
bonds (distance) P-C4' energy: -54.364
flat angles C4'-P-C4' energy: -65.401
flat angles P-C4'-P energy: -50.980
tors. eta vs tors. theta energy: -83.328
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: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -866.660828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.660828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.660828 (E_RNA)
where:
Base-Base interactions energy: -605.669
where: short stacking energy: -270.266
Base-Backbone interact. energy: -0.988
local terms energy: -260.004137
where:
bonds (distance) C4'-P energy: -54.017
bonds (distance) P-C4' energy: -42.321
flat angles C4'-P-C4' energy: -56.942
flat angles P-C4'-P energy: -39.430
tors. eta vs tors. theta energy: -67.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -845.334454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.334454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.334454 (E_RNA)
where:
Base-Base interactions energy: -574.517
where: short stacking energy: -250.499
Base-Backbone interact. energy: -1.113
local terms energy: -269.704196
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -51.665
flat angles C4'-P-C4' energy: -54.692
flat angles P-C4'-P energy: -41.260
tors. eta vs tors. theta energy: -72.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -642.007786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.007786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.007786 (E_RNA)
where:
Base-Base interactions energy: -399.675
where: short stacking energy: -200.518
Base-Backbone interact. energy: 0.710
local terms energy: -243.042740
where:
bonds (distance) C4'-P energy: -47.828
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -51.878
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -49.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -558.576270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.576270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.576270 (E_RNA)
where:
Base-Base interactions energy: -347.434
where: short stacking energy: -177.166
Base-Backbone interact. energy: 1.778
local terms energy: -212.919680
where:
bonds (distance) C4'-P energy: -59.789
bonds (distance) P-C4' energy: -38.393
flat angles C4'-P-C4' energy: -52.293
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -35.682
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: 4
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -463.279758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.279758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.279758 (E_RNA)
where:
Base-Base interactions energy: -284.301
where: short stacking energy: -134.180
Base-Backbone interact. energy: 2.485
local terms energy: -181.464154
where:
bonds (distance) C4'-P energy: -46.002
bonds (distance) P-C4' energy: -45.698
flat angles C4'-P-C4' energy: -48.877
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -20.111
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: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1159.787723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.787723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.787723 (E_RNA)
where:
Base-Base interactions energy: -834.747
where: short stacking energy: -348.022
Base-Backbone interact. energy: -1.587
local terms energy: -323.453353
where:
bonds (distance) C4'-P energy: -63.029
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -63.107
flat angles P-C4'-P energy: -32.050
tors. eta vs tors. theta energy: -99.507
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: 262
Temperature: 0.950000
Total energy: -1091.374334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.374334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.374334 (E_RNA)
where:
Base-Base interactions energy: -763.378
where: short stacking energy: -342.548
Base-Backbone interact. energy: -2.510
local terms energy: -325.486462
where:
bonds (distance) C4'-P energy: -62.831
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -61.972
flat angles P-C4'-P energy: -43.361
tors. eta vs tors. theta energy: -95.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1079.516860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.516860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.516860 (E_RNA)
where:
Base-Base interactions energy: -757.321
where: short stacking energy: -328.171
Base-Backbone interact. energy: -0.371
local terms energy: -321.824971
where:
bonds (distance) C4'-P energy: -55.889
bonds (distance) P-C4' energy: -59.148
flat angles C4'-P-C4' energy: -67.894
flat angles P-C4'-P energy: -48.303
tors. eta vs tors. theta energy: -90.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1026.232364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.232364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.232364 (E_RNA)
where:
Base-Base interactions energy: -721.708
where: short stacking energy: -310.299
Base-Backbone interact. energy: -0.728
local terms energy: -303.795882
where:
bonds (distance) C4'-P energy: -58.539
bonds (distance) P-C4' energy: -53.010
flat angles C4'-P-C4' energy: -66.885
flat angles P-C4'-P energy: -32.613
tors. eta vs tors. theta energy: -92.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -954.211538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.211538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.211538 (E_RNA)
where:
Base-Base interactions energy: -678.987
where: short stacking energy: -285.245
Base-Backbone interact. energy: -1.115
local terms energy: -274.110143
where:
bonds (distance) C4'-P energy: -48.935
bonds (distance) P-C4' energy: -46.756
flat angles C4'-P-C4' energy: -65.886
flat angles P-C4'-P energy: -40.102
tors. eta vs tors. theta energy: -72.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -901.000787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.000787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.000787 (E_RNA)
where:
Base-Base interactions energy: -625.469
where: short stacking energy: -269.948
Base-Backbone interact. energy: -0.994
local terms energy: -274.537761
where:
bonds (distance) C4'-P energy: -40.018
bonds (distance) P-C4' energy: -48.541
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -72.833
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: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -833.447431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.447431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.447431 (E_RNA)
where:
Base-Base interactions energy: -568.304
where: short stacking energy: -247.364
Base-Backbone interact. energy: 0.044
local terms energy: -265.188001
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -56.626
flat angles P-C4'-P energy: -39.113
tors. eta vs tors. theta energy: -60.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -685.422663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.422663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.422663 (E_RNA)
where:
Base-Base interactions energy: -460.373
where: short stacking energy: -209.216
Base-Backbone interact. energy: 0.193
local terms energy: -225.242816
where:
bonds (distance) C4'-P energy: -41.818
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -38.163
tors. eta vs tors. theta energy: -49.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -540.195667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.195667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.195667 (E_RNA)
where:
Base-Base interactions energy: -326.484
where: short stacking energy: -150.380
Base-Backbone interact. energy: -0.465
local terms energy: -213.246943
where:
bonds (distance) C4'-P energy: -52.737
bonds (distance) P-C4' energy: -44.691
flat angles C4'-P-C4' energy: -59.722
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -491.466608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.466608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.466608 (E_RNA)
where:
Base-Base interactions energy: -284.401
where: short stacking energy: -126.319
Base-Backbone interact. energy: -0.538
local terms energy: -206.526999
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -55.608
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -33.725
tors. eta vs tors. theta energy: -14.587
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: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1141.835315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.835315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.835315 (E_RNA)
where:
Base-Base interactions energy: -820.566
where: short stacking energy: -338.168
Base-Backbone interact. energy: 1.247
local terms energy: -322.516180
where:
bonds (distance) C4'-P energy: -59.613
bonds (distance) P-C4' energy: -58.864
flat angles C4'-P-C4' energy: -66.061
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: -93.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1078.158891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.158891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.158891 (E_RNA)
where:
Base-Base interactions energy: -763.992
where: short stacking energy: -326.701
Base-Backbone interact. energy: -2.320
local terms energy: -311.846931
where:
bonds (distance) C4'-P energy: -51.782
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -75.774
flat angles P-C4'-P energy: -35.432
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: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1042.626954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.626954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.626954 (E_RNA)
where:
Base-Base interactions energy: -737.156
where: short stacking energy: -304.797
Base-Backbone interact. energy: 0.743
local terms energy: -306.214500
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -66.969
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -82.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1010.512612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.512612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.512612 (E_RNA)
where:
Base-Base interactions energy: -712.150
where: short stacking energy: -299.742
Base-Backbone interact. energy: -1.069
local terms energy: -297.293568
where:
bonds (distance) C4'-P energy: -61.187
bonds (distance) P-C4' energy: -55.958
flat angles C4'-P-C4' energy: -67.517
flat angles P-C4'-P energy: -32.749
tors. eta vs tors. theta energy: -79.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -954.727013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.727013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.727013 (E_RNA)
where:
Base-Base interactions energy: -675.425
where: short stacking energy: -286.616
Base-Backbone interact. energy: -1.724
local terms energy: -277.578463
where:
bonds (distance) C4'-P energy: -47.303
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -60.361
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -910.792167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.792167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.792167 (E_RNA)
where:
Base-Base interactions energy: -618.806
where: short stacking energy: -258.810
Base-Backbone interact. energy: -0.279
local terms energy: -291.707004
where:
bonds (distance) C4'-P energy: -51.137
bonds (distance) P-C4' energy: -52.559
flat angles C4'-P-C4' energy: -67.241
flat angles P-C4'-P energy: -46.123
tors. eta vs tors. theta energy: -74.647
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: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -820.008227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.008227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.008227 (E_RNA)
where:
Base-Base interactions energy: -566.369
where: short stacking energy: -251.303
Base-Backbone interact. energy: -1.178
local terms energy: -252.460905
where:
bonds (distance) C4'-P energy: -45.656
bonds (distance) P-C4' energy: -43.715
flat angles C4'-P-C4' energy: -55.443
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -72.730
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: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -697.649977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.649977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.649977 (E_RNA)
where:
Base-Base interactions energy: -482.887
where: short stacking energy: -206.439
Base-Backbone interact. energy: -2.033
local terms energy: -212.729133
where:
bonds (distance) C4'-P energy: -39.618
bonds (distance) P-C4' energy: -35.462
flat angles C4'-P-C4' energy: -48.714
flat angles P-C4'-P energy: -38.874
tors. eta vs tors. theta energy: -50.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -537.383570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.383570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.383570 (E_RNA)
where:
Base-Base interactions energy: -344.297
where: short stacking energy: -156.343
Base-Backbone interact. energy: -0.382
local terms energy: -192.703982
where:
bonds (distance) C4'-P energy: -44.173
bonds (distance) P-C4' energy: -52.797
flat angles C4'-P-C4' energy: -53.330
flat angles P-C4'-P energy: -26.150
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -480.947606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.947606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.947606 (E_RNA)
where:
Base-Base interactions energy: -296.383
where: short stacking energy: -138.850
Base-Backbone interact. energy: -1.290
local terms energy: -183.274226
where:
bonds (distance) C4'-P energy: -53.178
bonds (distance) P-C4' energy: -52.407
flat angles C4'-P-C4' energy: -37.333
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -9.367
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: 1
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1152.058684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.058684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.058684 (E_RNA)
where:
Base-Base interactions energy: -823.336
where: short stacking energy: -336.835
Base-Backbone interact. energy: -0.418
local terms energy: -328.304856
where:
bonds (distance) C4'-P energy: -62.710
bonds (distance) P-C4' energy: -52.143
flat angles C4'-P-C4' energy: -73.482
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -98.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1096.227978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.227978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.227978 (E_RNA)
where:
Base-Base interactions energy: -761.957
where: short stacking energy: -327.922
Base-Backbone interact. energy: 1.593
local terms energy: -335.864021
where:
bonds (distance) C4'-P energy: -64.411
bonds (distance) P-C4' energy: -65.763
flat angles C4'-P-C4' energy: -72.320
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -93.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1051.279395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.279395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.279395 (E_RNA)
where:
Base-Base interactions energy: -743.705
where: short stacking energy: -312.692
Base-Backbone interact. energy: -2.103
local terms energy: -305.471482
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -52.975
flat angles C4'-P-C4' energy: -59.896
flat angles P-C4'-P energy: -51.636
tors. eta vs tors. theta energy: -81.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1001.833575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.833575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.833575 (E_RNA)
where:
Base-Base interactions energy: -712.373
where: short stacking energy: -298.038
Base-Backbone interact. energy: -1.270
local terms energy: -288.191453
where:
bonds (distance) C4'-P energy: -51.821
bonds (distance) P-C4' energy: -53.059
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -43.312
tors. eta vs tors. theta energy: -84.176
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: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -970.129155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.129155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.129155 (E_RNA)
where:
Base-Base interactions energy: -692.472
where: short stacking energy: -292.476
Base-Backbone interact. energy: -1.180
local terms energy: -276.476263
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -53.476
flat angles C4'-P-C4' energy: -61.698
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -76.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -917.058278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.058278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.058278 (E_RNA)
where:
Base-Base interactions energy: -627.300
where: short stacking energy: -273.148
Base-Backbone interact. energy: -1.185
local terms energy: -288.572831
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -54.862
flat angles C4'-P-C4' energy: -66.221
flat angles P-C4'-P energy: -36.047
tors. eta vs tors. theta energy: -76.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -857.783815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.783815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.783815 (E_RNA)
where:
Base-Base interactions energy: -603.796
where: short stacking energy: -263.841
Base-Backbone interact. energy: 0.323
local terms energy: -254.310743
where:
bonds (distance) C4'-P energy: -47.465
bonds (distance) P-C4' energy: -52.398
flat angles C4'-P-C4' energy: -53.273
flat angles P-C4'-P energy: -32.822
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: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -705.900606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.900606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.900606 (E_RNA)
where:
Base-Base interactions energy: -465.666
where: short stacking energy: -221.568
Base-Backbone interact. energy: 0.298
local terms energy: -240.532502
where:
bonds (distance) C4'-P energy: -42.177
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -523.507098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.507098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.507098 (E_RNA)
where:
Base-Base interactions energy: -309.479
where: short stacking energy: -154.553
Base-Backbone interact. energy: -1.151
local terms energy: -212.877047
where:
bonds (distance) C4'-P energy: -46.862
bonds (distance) P-C4' energy: -53.453
flat angles C4'-P-C4' energy: -56.260
flat angles P-C4'-P energy: -33.000
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -427.029688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.029688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.029688 (E_RNA)
where:
Base-Base interactions energy: -240.957
where: short stacking energy: -124.376
Base-Backbone interact. energy: -1.604
local terms energy: -184.467980
where:
bonds (distance) C4'-P energy: -46.227
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -46.761
flat angles P-C4'-P energy: -33.906
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1131.489046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.489046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.489046 (E_RNA)
where:
Base-Base interactions energy: -803.860
where: short stacking energy: -330.934
Base-Backbone interact. energy: -1.363
local terms energy: -326.265986
where:
bonds (distance) C4'-P energy: -61.280
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -59.598
flat angles P-C4'-P energy: -36.763
tors. eta vs tors. theta energy: -99.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1074.406462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.406462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.406462 (E_RNA)
where:
Base-Base interactions energy: -749.915
where: short stacking energy: -327.266
Base-Backbone interact. energy: -1.117
local terms energy: -323.374527
where:
bonds (distance) C4'-P energy: -61.477
bonds (distance) P-C4' energy: -56.742
flat angles C4'-P-C4' energy: -69.687
flat angles P-C4'-P energy: -36.927
tors. eta vs tors. theta energy: -98.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1065.149996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.149996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.149996 (E_RNA)
where:
Base-Base interactions energy: -749.649
where: short stacking energy: -320.899
Base-Backbone interact. energy: -0.953
local terms energy: -314.548520
where:
bonds (distance) C4'-P energy: -58.674
bonds (distance) P-C4' energy: -57.939
flat angles C4'-P-C4' energy: -66.672
flat angles P-C4'-P energy: -46.806
tors. eta vs tors. theta energy: -84.458
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: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1022.955425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.955425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.955425 (E_RNA)
where:
Base-Base interactions energy: -709.913
where: short stacking energy: -306.116
Base-Backbone interact. energy: -3.488
local terms energy: -309.554429
where:
bonds (distance) C4'-P energy: -57.780
bonds (distance) P-C4' energy: -61.108
flat angles C4'-P-C4' energy: -59.010
flat angles P-C4'-P energy: -44.560
tors. eta vs tors. theta energy: -87.097
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: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -948.180693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.180693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.180693 (E_RNA)
where:
Base-Base interactions energy: -667.072
where: short stacking energy: -274.547
Base-Backbone interact. energy: -1.081
local terms energy: -280.027407
where:
bonds (distance) C4'-P energy: -49.655
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -61.737
flat angles P-C4'-P energy: -36.191
tors. eta vs tors. theta energy: -78.344
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: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -928.904188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.904188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.904188 (E_RNA)
where:
Base-Base interactions energy: -640.277
where: short stacking energy: -279.719
Base-Backbone interact. energy: -0.464
local terms energy: -288.162691
where:
bonds (distance) C4'-P energy: -50.181
bonds (distance) P-C4' energy: -62.970
flat angles C4'-P-C4' energy: -57.823
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -77.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -885.088254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.088254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.088254 (E_RNA)
where:
Base-Base interactions energy: -609.512
where: short stacking energy: -275.011
Base-Backbone interact. energy: -1.790
local terms energy: -273.785892
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -50.732
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -67.416
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -704.570928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.570928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.570928 (E_RNA)
where:
Base-Base interactions energy: -465.367
where: short stacking energy: -211.340
Base-Backbone interact. energy: -0.798
local terms energy: -238.406073
where:
bonds (distance) C4'-P energy: -46.897
bonds (distance) P-C4' energy: -52.246
flat angles C4'-P-C4' energy: -41.813
flat angles P-C4'-P energy: -42.966
tors. eta vs tors. theta energy: -54.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -518.938667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.938667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.938667 (E_RNA)
where:
Base-Base interactions energy: -317.016
where: short stacking energy: -159.194
Base-Backbone interact. energy: 0.072
local terms energy: -201.994806
where:
bonds (distance) C4'-P energy: -45.347
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -54.187
flat angles P-C4'-P energy: -27.964
tors. eta vs tors. theta energy: -20.403
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: 10, replica: 4
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -458.311293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.311293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.311293 (E_RNA)
where:
Base-Base interactions energy: -251.230
where: short stacking energy: -135.633
Base-Backbone interact. energy: 0.423
local terms energy: -207.504150
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -52.634
flat angles C4'-P-C4' energy: -52.351
flat angles P-C4'-P energy: -30.740
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1129.027367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.027367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.027367 (E_RNA)
where:
Base-Base interactions energy: -800.792
where: short stacking energy: -343.469
Base-Backbone interact. energy: -1.437
local terms energy: -326.799173
where:
bonds (distance) C4'-P energy: -57.814
bonds (distance) P-C4' energy: -58.954
flat angles C4'-P-C4' energy: -69.769
flat angles P-C4'-P energy: -43.057
tors. eta vs tors. theta energy: -97.205
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: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1067.930199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.930199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.930199 (E_RNA)
where:
Base-Base interactions energy: -741.566
where: short stacking energy: -323.958
Base-Backbone interact. energy: -1.268
local terms energy: -325.096283
where:
bonds (distance) C4'-P energy: -61.395
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -66.184
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -92.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1054.299159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.299159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.299159 (E_RNA)
where:
Base-Base interactions energy: -742.500
where: short stacking energy: -327.880
Base-Backbone interact. energy: -1.974
local terms energy: -309.824361
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -68.973
flat angles P-C4'-P energy: -35.703
tors. eta vs tors. theta energy: -92.012
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: 4, replica: 6
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1007.227667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.227667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.227667 (E_RNA)
where:
Base-Base interactions energy: -694.877
where: short stacking energy: -308.741
Base-Backbone interact. energy: 1.532
local terms energy: -313.882680
where:
bonds (distance) C4'-P energy: -63.898
bonds (distance) P-C4' energy: -58.056
flat angles C4'-P-C4' energy: -61.443
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -90.993
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: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -987.462114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.462114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.462114 (E_RNA)
where:
Base-Base interactions energy: -689.547
where: short stacking energy: -296.396
Base-Backbone interact. energy: -3.689
local terms energy: -294.226219
where:
bonds (distance) C4'-P energy: -57.079
bonds (distance) P-C4' energy: -59.785
flat angles C4'-P-C4' energy: -58.770
flat angles P-C4'-P energy: -34.373
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: 266
Temperature: 1.150000
Total energy: -903.073274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.073274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.073274 (E_RNA)
where:
Base-Base interactions energy: -620.143
where: short stacking energy: -275.183
Base-Backbone interact. energy: -1.343
local terms energy: -281.586908
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -59.334
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -76.707
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -827.637554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.637554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.637554 (E_RNA)
where:
Base-Base interactions energy: -552.194
where: short stacking energy: -229.239
Base-Backbone interact. energy: -0.725
local terms energy: -274.718667
where:
bonds (distance) C4'-P energy: -57.732
bonds (distance) P-C4' energy: -50.292
flat angles C4'-P-C4' energy: -48.264
flat angles P-C4'-P energy: -41.529
tors. eta vs tors. theta energy: -76.903
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: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -724.705310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.705310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.705310 (E_RNA)
where:
Base-Base interactions energy: -463.209
where: short stacking energy: -218.257
Base-Backbone interact. energy: -0.126
local terms energy: -261.371019
where:
bonds (distance) C4'-P energy: -54.821
bonds (distance) P-C4' energy: -58.936
flat angles C4'-P-C4' energy: -68.784
flat angles P-C4'-P energy: -25.000
tors. eta vs tors. theta energy: -53.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -571.637415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.637415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.637415 (E_RNA)
where:
Base-Base interactions energy: -365.072
where: short stacking energy: -170.980
Base-Backbone interact. energy: -0.286
local terms energy: -206.279660
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -59.991
flat angles C4'-P-C4' energy: -42.875
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -39.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -452.992056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.992056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.992056 (E_RNA)
where:
Base-Base interactions energy: -271.358
where: short stacking energy: -143.058
Base-Backbone interact. energy: -1.753
local terms energy: -179.880334
where:
bonds (distance) C4'-P energy: -41.603
bonds (distance) P-C4' energy: -63.503
flat angles C4'-P-C4' energy: -41.121
flat angles P-C4'-P energy: -20.758
tors. eta vs tors. theta energy: -12.895
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: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1138.983816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.983816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.983816 (E_RNA)
where:
Base-Base interactions energy: -802.163
where: short stacking energy: -336.905
Base-Backbone interact. energy: -1.205
local terms energy: -335.615984
where:
bonds (distance) C4'-P energy: -60.515
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -68.072
flat angles P-C4'-P energy: -50.491
tors. eta vs tors. theta energy: -94.959
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: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1066.716683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.716683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.716683 (E_RNA)
where:
Base-Base interactions energy: -737.410
where: short stacking energy: -320.787
Base-Backbone interact. energy: -0.426
local terms energy: -328.881084
where:
bonds (distance) C4'-P energy: -53.775
bonds (distance) P-C4' energy: -65.666
flat angles C4'-P-C4' energy: -73.426
flat angles P-C4'-P energy: -47.205
tors. eta vs tors. theta energy: -88.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1070.560372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.560372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.560372 (E_RNA)
where:
Base-Base interactions energy: -746.069
where: short stacking energy: -325.209
Base-Backbone interact. energy: -0.768
local terms energy: -323.722545
where:
bonds (distance) C4'-P energy: -69.317
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -67.291
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -89.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1002.225600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.225600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.225600 (E_RNA)
where:
Base-Base interactions energy: -704.339
where: short stacking energy: -300.606
Base-Backbone interact. energy: -2.023
local terms energy: -295.863643
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -54.483
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -46.774
tors. eta vs tors. theta energy: -81.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -955.371626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.371626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.371626 (E_RNA)
where:
Base-Base interactions energy: -673.767
where: short stacking energy: -269.795
Base-Backbone interact. energy: -1.089
local terms energy: -280.515549
where:
bonds (distance) C4'-P energy: -53.500
bonds (distance) P-C4' energy: -57.158
flat angles C4'-P-C4' energy: -62.073
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -72.328
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: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -915.398825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.398825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.398825 (E_RNA)
where:
Base-Base interactions energy: -620.177
where: short stacking energy: -262.105
Base-Backbone interact. energy: -0.744
local terms energy: -294.477272
where:
bonds (distance) C4'-P energy: -60.564
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -62.160
flat angles P-C4'-P energy: -42.919
tors. eta vs tors. theta energy: -71.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -863.020056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.020056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.020056 (E_RNA)
where:
Base-Base interactions energy: -614.910
where: short stacking energy: -271.018
Base-Backbone interact. energy: -0.416
local terms energy: -247.693681
where:
bonds (distance) C4'-P energy: -42.035
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -58.875
flat angles P-C4'-P energy: -26.553
tors. eta vs tors. theta energy: -64.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -719.924277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.924277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.924277 (E_RNA)
where:
Base-Base interactions energy: -477.020
where: short stacking energy: -226.221
Base-Backbone interact. energy: -0.494
local terms energy: -242.410233
where:
bonds (distance) C4'-P energy: -49.412
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -51.003
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -48.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -532.448193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.448193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.448193 (E_RNA)
where:
Base-Base interactions energy: -324.742
where: short stacking energy: -155.537
Base-Backbone interact. energy: -0.686
local terms energy: -207.019813
where:
bonds (distance) C4'-P energy: -46.692
bonds (distance) P-C4' energy: -57.357
flat angles C4'-P-C4' energy: -48.541
flat angles P-C4'-P energy: -25.849
tors. eta vs tors. theta energy: -28.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -409.218197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.218197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.218197 (E_RNA)
where:
Base-Base interactions energy: -223.568
where: short stacking energy: -135.819
Base-Backbone interact. energy: 2.176
local terms energy: -187.826103
where:
bonds (distance) C4'-P energy: -47.562
bonds (distance) P-C4' energy: -52.287
flat angles C4'-P-C4' energy: -39.754
flat angles P-C4'-P energy: -28.729
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1134.963869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.963869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.963869 (E_RNA)
where:
Base-Base interactions energy: -800.797
where: short stacking energy: -327.995
Base-Backbone interact. energy: -1.087
local terms energy: -333.079389
where:
bonds (distance) C4'-P energy: -63.703
bonds (distance) P-C4' energy: -57.347
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: -95.044
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: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1083.924973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.924973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.924973 (E_RNA)
where:
Base-Base interactions energy: -770.398
where: short stacking energy: -331.892
Base-Backbone interact. energy: -1.697
local terms energy: -311.830245
where:
bonds (distance) C4'-P energy: -58.866
bonds (distance) P-C4' energy: -55.499
flat angles C4'-P-C4' energy: -64.840
flat angles P-C4'-P energy: -44.742
tors. eta vs tors. theta energy: -87.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1057.560370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.560370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.560370 (E_RNA)
where:
Base-Base interactions energy: -735.139
where: short stacking energy: -325.141
Base-Backbone interact. energy: 0.876
local terms energy: -323.297778
where:
bonds (distance) C4'-P energy: -50.986
bonds (distance) P-C4' energy: -69.135
flat angles C4'-P-C4' energy: -60.553
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -95.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -998.793931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.793931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.793931 (E_RNA)
where:
Base-Base interactions energy: -696.562
where: short stacking energy: -294.210
Base-Backbone interact. energy: -0.836
local terms energy: -301.395878
where:
bonds (distance) C4'-P energy: -51.915
bonds (distance) P-C4' energy: -55.614
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -43.137
tors. eta vs tors. theta energy: -81.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -970.328472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.328472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.328472 (E_RNA)
where:
Base-Base interactions energy: -668.140
where: short stacking energy: -283.634
Base-Backbone interact. energy: -1.296
local terms energy: -300.892698
where:
bonds (distance) C4'-P energy: -64.045
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -66.979
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -78.254
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: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -910.359272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.359272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.359272 (E_RNA)
where:
Base-Base interactions energy: -624.154
where: short stacking energy: -269.344
Base-Backbone interact. energy: -1.799
local terms energy: -284.405609
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -55.456
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -35.790
tors. eta vs tors. theta energy: -80.005
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: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -864.435084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.435084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.435084 (E_RNA)
where:
Base-Base interactions energy: -590.163
where: short stacking energy: -240.438
Base-Backbone interact. energy: -1.204
local terms energy: -273.067670
where:
bonds (distance) C4'-P energy: -54.325
bonds (distance) P-C4' energy: -59.070
flat angles C4'-P-C4' energy: -60.322
flat angles P-C4'-P energy: -33.666
tors. eta vs tors. theta energy: -65.684
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: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -705.842902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.842902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.842902 (E_RNA)
where:
Base-Base interactions energy: -456.453
where: short stacking energy: -203.751
Base-Backbone interact. energy: -0.923
local terms energy: -248.466843
where:
bonds (distance) C4'-P energy: -47.039
bonds (distance) P-C4' energy: -52.829
flat angles C4'-P-C4' energy: -53.124
flat angles P-C4'-P energy: -42.410
tors. eta vs tors. theta energy: -53.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -529.986935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.986935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.986935 (E_RNA)
where:
Base-Base interactions energy: -319.875
where: short stacking energy: -172.208
Base-Backbone interact. energy: -1.470
local terms energy: -208.641999
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -59.506
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -35.099
tors. eta vs tors. theta energy: -25.051
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: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -406.870599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.870599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.870599 (E_RNA)
where:
Base-Base interactions energy: -215.158
where: short stacking energy: -122.507
Base-Backbone interact. energy: 0.988
local terms energy: -192.700381
where:
bonds (distance) C4'-P energy: -35.466
bonds (distance) P-C4' energy: -59.292
flat angles C4'-P-C4' energy: -49.347
flat angles P-C4'-P energy: -32.037
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1150.072265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.072265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.072265 (E_RNA)
where:
Base-Base interactions energy: -812.213
where: short stacking energy: -334.889
Base-Backbone interact. energy: -2.769
local terms energy: -335.089792
where:
bonds (distance) C4'-P energy: -60.817
bonds (distance) P-C4' energy: -59.771
flat angles C4'-P-C4' energy: -68.356
flat angles P-C4'-P energy: -47.717
tors. eta vs tors. theta energy: -98.429
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: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1093.736843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.736843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.736843 (E_RNA)
where:
Base-Base interactions energy: -777.919
where: short stacking energy: -344.079
Base-Backbone interact. energy: -1.313
local terms energy: -314.504136
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -57.334
flat angles C4'-P-C4' energy: -65.541
flat angles P-C4'-P energy: -39.326
tors. eta vs tors. theta energy: -96.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1050.130050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.130050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.130050 (E_RNA)
where:
Base-Base interactions energy: -740.723
where: short stacking energy: -326.183
Base-Backbone interact. energy: 1.524
local terms energy: -310.931066
where:
bonds (distance) C4'-P energy: -51.832
bonds (distance) P-C4' energy: -64.432
flat angles C4'-P-C4' energy: -63.765
flat angles P-C4'-P energy: -33.469
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: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1007.657270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.657270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.657270 (E_RNA)
where:
Base-Base interactions energy: -728.049
where: short stacking energy: -302.374
Base-Backbone interact. energy: -1.501
local terms energy: -278.107833
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -41.984
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -42.157
tors. eta vs tors. theta energy: -88.656
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: 269
Temperature: 1.100000
Total energy: -978.359911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.359911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.359911 (E_RNA)
where:
Base-Base interactions energy: -689.309
where: short stacking energy: -292.190
Base-Backbone interact. energy: -1.135
local terms energy: -287.915817
where:
bonds (distance) C4'-P energy: -50.979
bonds (distance) P-C4' energy: -57.247
flat angles C4'-P-C4' energy: -59.110
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -81.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -896.113222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.113222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.113222 (E_RNA)
where:
Base-Base interactions energy: -619.117
where: short stacking energy: -263.983
Base-Backbone interact. energy: -1.154
local terms energy: -275.841758
where:
bonds (distance) C4'-P energy: -52.633
bonds (distance) P-C4' energy: -42.923
flat angles C4'-P-C4' energy: -66.005
flat angles P-C4'-P energy: -39.453
tors. eta vs tors. theta energy: -74.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -876.793806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.793806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.793806 (E_RNA)
where:
Base-Base interactions energy: -598.696
where: short stacking energy: -260.875
Base-Backbone interact. energy: -0.730
local terms energy: -277.367879
where:
bonds (distance) C4'-P energy: -55.425
bonds (distance) P-C4' energy: -55.562
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -33.469
tors. eta vs tors. theta energy: -69.428
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: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -639.562388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.562388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.562388 (E_RNA)
where:
Base-Base interactions energy: -408.152
where: short stacking energy: -183.073
Base-Backbone interact. energy: -0.199
local terms energy: -231.211191
where:
bonds (distance) C4'-P energy: -59.259
bonds (distance) P-C4' energy: -47.372
flat angles C4'-P-C4' energy: -59.426
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -48.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -562.769427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.769427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.769427 (E_RNA)
where:
Base-Base interactions energy: -358.868
where: short stacking energy: -184.732
Base-Backbone interact. energy: 4.888
local terms energy: -208.788554
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -53.513
flat angles C4'-P-C4' energy: -41.135
flat angles P-C4'-P energy: -36.217
tors. eta vs tors. theta energy: -32.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -432.208202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.208202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.208202 (E_RNA)
where:
Base-Base interactions energy: -265.083
where: short stacking energy: -142.734
Base-Backbone interact. energy: 0.101
local terms energy: -167.226921
where:
bonds (distance) C4'-P energy: -32.711
bonds (distance) P-C4' energy: -39.198
flat angles C4'-P-C4' energy: -51.562
flat angles P-C4'-P energy: -28.727
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1157.594143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.594143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.594143 (E_RNA)
where:
Base-Base interactions energy: -834.181
where: short stacking energy: -348.616
Base-Backbone interact. energy: -2.750
local terms energy: -320.663266
where:
bonds (distance) C4'-P energy: -60.499
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -61.419
flat angles P-C4'-P energy: -46.245
tors. eta vs tors. theta energy: -95.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1096.479671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.479671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.479671 (E_RNA)
where:
Base-Base interactions energy: -768.147
where: short stacking energy: -327.679
Base-Backbone interact. energy: -1.342
local terms energy: -326.990672
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -66.260
flat angles C4'-P-C4' energy: -66.886
flat angles P-C4'-P energy: -46.405
tors. eta vs tors. theta energy: -96.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1033.877352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.877352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.877352 (E_RNA)
where:
Base-Base interactions energy: -729.482
where: short stacking energy: -302.494
Base-Backbone interact. energy: -1.522
local terms energy: -302.873705
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -60.454
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -37.628
tors. eta vs tors. theta energy: -89.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1028.291943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.291943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.291943 (E_RNA)
where:
Base-Base interactions energy: -712.702
where: short stacking energy: -311.022
Base-Backbone interact. energy: -0.411
local terms energy: -315.178602
where:
bonds (distance) C4'-P energy: -53.607
bonds (distance) P-C4' energy: -55.264
flat angles C4'-P-C4' energy: -69.535
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -91.488
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: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -907.431815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.431815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.431815 (E_RNA)
where:
Base-Base interactions energy: -614.994
where: short stacking energy: -264.874
Base-Backbone interact. energy: -1.733
local terms energy: -290.704694
where:
bonds (distance) C4'-P energy: -52.544
bonds (distance) P-C4' energy: -54.499
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -42.365
tors. eta vs tors. theta energy: -73.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -953.111771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.111771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.111771 (E_RNA)
where:
Base-Base interactions energy: -658.177
where: short stacking energy: -279.802
Base-Backbone interact. energy: -1.040
local terms energy: -293.894751
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -64.607
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -76.508
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: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -862.322243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.322243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.322243 (E_RNA)
where:
Base-Base interactions energy: -592.538
where: short stacking energy: -244.708
Base-Backbone interact. energy: -0.163
local terms energy: -269.621393
where:
bonds (distance) C4'-P energy: -51.946
bonds (distance) P-C4' energy: -58.339
flat angles C4'-P-C4' energy: -54.474
flat angles P-C4'-P energy: -33.998
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: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -664.747319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.747319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.747319 (E_RNA)
where:
Base-Base interactions energy: -419.988
where: short stacking energy: -182.959
Base-Backbone interact. energy: -2.201
local terms energy: -242.557611
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -37.068
tors. eta vs tors. theta energy: -46.072
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: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -552.669364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.669364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.669364 (E_RNA)
where:
Base-Base interactions energy: -324.934
where: short stacking energy: -164.144
Base-Backbone interact. energy: -0.670
local terms energy: -227.065131
where:
bonds (distance) C4'-P energy: -45.731
bonds (distance) P-C4' energy: -60.999
flat angles C4'-P-C4' energy: -56.363
flat angles P-C4'-P energy: -34.571
tors. eta vs tors. theta energy: -29.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -414.844704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.844704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.844704 (E_RNA)
where:
Base-Base interactions energy: -211.322
where: short stacking energy: -126.427
Base-Backbone interact. energy: -0.779
local terms energy: -202.743853
where:
bonds (distance) C4'-P energy: -47.866
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -46.540
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -20.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1136.982294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.982294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.982294 (E_RNA)
where:
Base-Base interactions energy: -806.247
where: short stacking energy: -330.757
Base-Backbone interact. energy: -1.658
local terms energy: -329.077172
where:
bonds (distance) C4'-P energy: -56.704
bonds (distance) P-C4' energy: -61.773
flat angles C4'-P-C4' energy: -71.446
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -90.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1089.152981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.152981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.152981 (E_RNA)
where:
Base-Base interactions energy: -765.793
where: short stacking energy: -313.182
Base-Backbone interact. energy: 1.801
local terms energy: -325.160701
where:
bonds (distance) C4'-P energy: -63.083
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -73.221
flat angles P-C4'-P energy: -42.940
tors. eta vs tors. theta energy: -85.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1056.489774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.489774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.489774 (E_RNA)
where:
Base-Base interactions energy: -750.484
where: short stacking energy: -290.185
Base-Backbone interact. energy: 0.363
local terms energy: -306.367980
where:
bonds (distance) C4'-P energy: -52.240
bonds (distance) P-C4' energy: -59.302
flat angles C4'-P-C4' energy: -70.984
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -84.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1049.519876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.519876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.519876 (E_RNA)
where:
Base-Base interactions energy: -728.901
where: short stacking energy: -316.149
Base-Backbone interact. energy: -3.485
local terms energy: -317.133363
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -66.219
flat angles P-C4'-P energy: -40.884
tors. eta vs tors. theta energy: -88.699
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: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -924.448526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.448526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.448526 (E_RNA)
where:
Base-Base interactions energy: -631.195
where: short stacking energy: -283.486
Base-Backbone interact. energy: -0.025
local terms energy: -293.228264
where:
bonds (distance) C4'-P energy: -52.332
bonds (distance) P-C4' energy: -62.294
flat angles C4'-P-C4' energy: -57.610
flat angles P-C4'-P energy: -42.864
tors. eta vs tors. theta energy: -78.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -955.490789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.490789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.490789 (E_RNA)
where:
Base-Base interactions energy: -661.163
where: short stacking energy: -304.603
Base-Backbone interact. energy: 1.486
local terms energy: -295.814461
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -52.003
flat angles C4'-P-C4' energy: -55.223
flat angles P-C4'-P energy: -49.388
tors. eta vs tors. theta energy: -87.350
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -852.584056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.584056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.584056 (E_RNA)
where:
Base-Base interactions energy: -568.645
where: short stacking energy: -250.675
Base-Backbone interact. energy: -3.095
local terms energy: -280.844355
where:
bonds (distance) C4'-P energy: -61.169
bonds (distance) P-C4' energy: -60.417
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -35.981
tors. eta vs tors. theta energy: -61.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -699.885578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.885578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.885578 (E_RNA)
where:
Base-Base interactions energy: -463.687
where: short stacking energy: -214.527
Base-Backbone interact. energy: -0.577
local terms energy: -235.621822
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -48.040
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -39.208
tors. eta vs tors. theta energy: -48.129
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: 271
Temperature: 1.300000
Total energy: -543.572893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.572893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.572893 (E_RNA)
where:
Base-Base interactions energy: -323.681
where: short stacking energy: -153.535
Base-Backbone interact. energy: -0.967
local terms energy: -218.925311
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -49.118
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -24.775
tors. eta vs tors. theta energy: -34.976
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: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -411.174210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.174210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.174210 (E_RNA)
where:
Base-Base interactions energy: -206.537
where: short stacking energy: -107.139
Base-Backbone interact. energy: -0.775
local terms energy: -203.862358
where:
bonds (distance) C4'-P energy: -45.460
bonds (distance) P-C4' energy: -54.885
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -32.819
tors. eta vs tors. theta energy: -10.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1163.912006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.912006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.912006 (E_RNA)
where:
Base-Base interactions energy: -833.900
where: short stacking energy: -348.242
Base-Backbone interact. energy: 0.533
local terms energy: -330.544882
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -60.687
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -95.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1080.898754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.898754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.898754 (E_RNA)
where:
Base-Base interactions energy: -765.462
where: short stacking energy: -324.600
Base-Backbone interact. energy: -1.519
local terms energy: -313.917611
where:
bonds (distance) C4'-P energy: -56.326
bonds (distance) P-C4' energy: -57.338
flat angles C4'-P-C4' energy: -67.258
flat angles P-C4'-P energy: -41.134
tors. eta vs tors. theta energy: -91.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1046.402152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.402152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.402152 (E_RNA)
where:
Base-Base interactions energy: -719.162
where: short stacking energy: -314.404
Base-Backbone interact. energy: -1.634
local terms energy: -325.606471
where:
bonds (distance) C4'-P energy: -62.050
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -63.249
flat angles P-C4'-P energy: -43.639
tors. eta vs tors. theta energy: -96.391
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: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1020.087994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.087994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.087994 (E_RNA)
where:
Base-Base interactions energy: -717.495
where: short stacking energy: -297.118
Base-Backbone interact. energy: -1.496
local terms energy: -301.096414
where:
bonds (distance) C4'-P energy: -63.675
bonds (distance) P-C4' energy: -66.513
flat angles C4'-P-C4' energy: -56.775
flat angles P-C4'-P energy: -32.173
tors. eta vs tors. theta energy: -81.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -915.008705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.008705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.008705 (E_RNA)
where:
Base-Base interactions energy: -641.235
where: short stacking energy: -288.135
Base-Backbone interact. energy: -2.466
local terms energy: -271.308332
where:
bonds (distance) C4'-P energy: -53.117
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -62.975
flat angles P-C4'-P energy: -25.084
tors. eta vs tors. theta energy: -73.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -974.779089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.779089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.779089 (E_RNA)
where:
Base-Base interactions energy: -662.179
where: short stacking energy: -280.941
Base-Backbone interact. energy: -2.064
local terms energy: -310.536579
where:
bonds (distance) C4'-P energy: -50.577
bonds (distance) P-C4' energy: -65.647
flat angles C4'-P-C4' energy: -61.845
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -89.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -841.142308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.142308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.142308 (E_RNA)
where:
Base-Base interactions energy: -566.603
where: short stacking energy: -264.907
Base-Backbone interact. energy: 4.538
local terms energy: -279.076912
where:
bonds (distance) C4'-P energy: -51.277
bonds (distance) P-C4' energy: -52.502
flat angles C4'-P-C4' energy: -58.445
flat angles P-C4'-P energy: -45.499
tors. eta vs tors. theta energy: -71.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -699.533349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.533349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.533349 (E_RNA)
where:
Base-Base interactions energy: -459.271
where: short stacking energy: -210.475
Base-Backbone interact. energy: -1.009
local terms energy: -239.252702
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -56.095
flat angles C4'-P-C4' energy: -52.972
flat angles P-C4'-P energy: -38.641
tors. eta vs tors. theta energy: -42.491
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: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -513.468315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.468315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.468315 (E_RNA)
where:
Base-Base interactions energy: -319.993
where: short stacking energy: -155.628
Base-Backbone interact. energy: -1.105
local terms energy: -192.370280
where:
bonds (distance) C4'-P energy: -40.423
bonds (distance) P-C4' energy: -53.103
flat angles C4'-P-C4' energy: -48.447
flat angles P-C4'-P energy: -26.262
tors. eta vs tors. theta energy: -24.135
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: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -441.235862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.235862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.235862 (E_RNA)
where:
Base-Base interactions energy: -266.224
where: short stacking energy: -137.245
Base-Backbone interact. energy: 0.529
local terms energy: -175.541604
where:
bonds (distance) C4'-P energy: -47.636
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -44.656
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -11.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1148.736201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.736201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.736201 (E_RNA)
where:
Base-Base interactions energy: -815.234
where: short stacking energy: -336.235
Base-Backbone interact. energy: -0.901
local terms energy: -332.600600
where:
bonds (distance) C4'-P energy: -64.663
bonds (distance) P-C4' energy: -61.589
flat angles C4'-P-C4' energy: -67.612
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -92.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1088.132358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.132358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.132358 (E_RNA)
where:
Base-Base interactions energy: -771.816
where: short stacking energy: -320.505
Base-Backbone interact. energy: -2.339
local terms energy: -313.977498
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -64.314
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -38.086
tors. eta vs tors. theta energy: -87.813
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: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1045.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.141804 (E_RNA)
where:
Base-Base interactions energy: -729.836
where: short stacking energy: -317.492
Base-Backbone interact. energy: 0.969
local terms energy: -316.275018
where:
bonds (distance) C4'-P energy: -62.532
bonds (distance) P-C4' energy: -56.100
flat angles C4'-P-C4' energy: -67.367
flat angles P-C4'-P energy: -41.714
tors. eta vs tors. theta energy: -88.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1000.688166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.688166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.688166 (E_RNA)
where:
Base-Base interactions energy: -708.419
where: short stacking energy: -296.014
Base-Backbone interact. energy: -3.162
local terms energy: -289.107564
where:
bonds (distance) C4'-P energy: -55.089
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -60.818
flat angles P-C4'-P energy: -38.590
tors. eta vs tors. theta energy: -77.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -925.591077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.591077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.591077 (E_RNA)
where:
Base-Base interactions energy: -633.413
where: short stacking energy: -280.154
Base-Backbone interact. energy: -0.071
local terms energy: -292.107152
where:
bonds (distance) C4'-P energy: -48.583
bonds (distance) P-C4' energy: -58.364
flat angles C4'-P-C4' energy: -66.125
flat angles P-C4'-P energy: -41.056
tors. eta vs tors. theta energy: -77.979
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: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -957.086241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.086241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.086241 (E_RNA)
where:
Base-Base interactions energy: -668.977
where: short stacking energy: -287.875
Base-Backbone interact. energy: -0.393
local terms energy: -287.716275
where:
bonds (distance) C4'-P energy: -53.701
bonds (distance) P-C4' energy: -48.752
flat angles C4'-P-C4' energy: -61.314
flat angles P-C4'-P energy: -45.550
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: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -843.053183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.053183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.053183 (E_RNA)
where:
Base-Base interactions energy: -585.275
where: short stacking energy: -255.291
Base-Backbone interact. energy: 0.952
local terms energy: -258.729484
where:
bonds (distance) C4'-P energy: -48.925
bonds (distance) P-C4' energy: -47.517
flat angles C4'-P-C4' energy: -52.569
flat angles P-C4'-P energy: -40.326
tors. eta vs tors. theta energy: -69.392
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: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -694.714886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.714886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.714886 (E_RNA)
where:
Base-Base interactions energy: -457.054
where: short stacking energy: -220.842
Base-Backbone interact. energy: -0.579
local terms energy: -237.081695
where:
bonds (distance) C4'-P energy: -49.877
bonds (distance) P-C4' energy: -47.522
flat angles C4'-P-C4' energy: -59.805
flat angles P-C4'-P energy: -25.109
tors. eta vs tors. theta energy: -54.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -542.917837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.917837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.917837 (E_RNA)
where:
Base-Base interactions energy: -338.277
where: short stacking energy: -159.413
Base-Backbone interact. energy: -2.020
local terms energy: -202.620613
where:
bonds (distance) C4'-P energy: -46.286
bonds (distance) P-C4' energy: -49.874
flat angles C4'-P-C4' energy: -51.299
flat angles P-C4'-P energy: -28.610
tors. eta vs tors. theta energy: -26.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -423.099713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.099713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.099713 (E_RNA)
where:
Base-Base interactions energy: -239.498
where: short stacking energy: -135.098
Base-Backbone interact. energy: -0.392
local terms energy: -183.209693
where:
bonds (distance) C4'-P energy: -31.892
bonds (distance) P-C4' energy: -45.767
flat angles C4'-P-C4' energy: -54.743
flat angles P-C4'-P energy: -38.437
tors. eta vs tors. theta energy: -12.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1137.345088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.345088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.345088 (E_RNA)
where:
Base-Base interactions energy: -808.450
where: short stacking energy: -337.508
Base-Backbone interact. energy: -1.617
local terms energy: -327.277701
where:
bonds (distance) C4'-P energy: -62.957
bonds (distance) P-C4' energy: -60.517
flat angles C4'-P-C4' energy: -68.218
flat angles P-C4'-P energy: -34.937
tors. eta vs tors. theta energy: -100.648
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: 2, replica: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1090.008715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.008715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.008715 (E_RNA)
where:
Base-Base interactions energy: -773.984
where: short stacking energy: -335.948
Base-Backbone interact. energy: 0.499
local terms energy: -316.523501
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -54.975
flat angles C4'-P-C4' energy: -70.814
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -88.308
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: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1034.020603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.020603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.020603 (E_RNA)
where:
Base-Base interactions energy: -720.841
where: short stacking energy: -305.722
Base-Backbone interact. energy: -1.182
local terms energy: -311.998247
where:
bonds (distance) C4'-P energy: -60.111
bonds (distance) P-C4' energy: -55.049
flat angles C4'-P-C4' energy: -70.577
flat angles P-C4'-P energy: -40.935
tors. eta vs tors. theta energy: -85.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1039.094236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.094236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.094236 (E_RNA)
where:
Base-Base interactions energy: -731.364
where: short stacking energy: -296.310
Base-Backbone interact. energy: 0.499
local terms energy: -308.229406
where:
bonds (distance) C4'-P energy: -59.699
bonds (distance) P-C4' energy: -53.759
flat angles C4'-P-C4' energy: -68.604
flat angles P-C4'-P energy: -45.745
tors. eta vs tors. theta energy: -80.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1003.986664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.986664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.986664 (E_RNA)
where:
Base-Base interactions energy: -707.647
where: short stacking energy: -295.361
Base-Backbone interact. energy: -1.589
local terms energy: -294.751124
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -47.229
tors. eta vs tors. theta energy: -77.378
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: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -927.166228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.166228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.166228 (E_RNA)
where:
Base-Base interactions energy: -642.582
where: short stacking energy: -294.696
Base-Backbone interact. energy: -0.042
local terms energy: -284.541851
where:
bonds (distance) C4'-P energy: -52.226
bonds (distance) P-C4' energy: -46.336
flat angles C4'-P-C4' energy: -69.554
flat angles P-C4'-P energy: -32.164
tors. eta vs tors. theta energy: -84.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -848.045443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.045443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.045443 (E_RNA)
where:
Base-Base interactions energy: -567.308
where: short stacking energy: -246.784
Base-Backbone interact. energy: -0.522
local terms energy: -280.216013
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -64.848
flat angles P-C4'-P energy: -40.266
tors. eta vs tors. theta energy: -68.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -740.416613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.416613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.416613 (E_RNA)
where:
Base-Base interactions energy: -483.208
where: short stacking energy: -209.090
Base-Backbone interact. energy: -0.751
local terms energy: -256.457167
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -51.948
flat angles C4'-P-C4' energy: -55.173
flat angles P-C4'-P energy: -36.121
tors. eta vs tors. theta energy: -62.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -532.880902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.880902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.880902 (E_RNA)
where:
Base-Base interactions energy: -325.882
where: short stacking energy: -152.373
Base-Backbone interact. energy: 3.910
local terms energy: -210.909382
where:
bonds (distance) C4'-P energy: -36.480
bonds (distance) P-C4' energy: -55.084
flat angles C4'-P-C4' energy: -55.056
flat angles P-C4'-P energy: -36.696
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -408.450847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.450847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.450847 (E_RNA)
where:
Base-Base interactions energy: -223.668
where: short stacking energy: -106.721
Base-Backbone interact. energy: -0.468
local terms energy: -184.314947
where:
bonds (distance) C4'-P energy: -51.618
bonds (distance) P-C4' energy: -48.317
flat angles C4'-P-C4' energy: -48.468
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -3.241
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: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1153.599222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.599222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.599222 (E_RNA)
where:
Base-Base interactions energy: -832.320
where: short stacking energy: -345.209
Base-Backbone interact. energy: -2.198
local terms energy: -319.080728
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -51.833
flat angles C4'-P-C4' energy: -63.112
flat angles P-C4'-P energy: -44.041
tors. eta vs tors. theta energy: -96.455
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: 275
Temperature: 0.950000
Total energy: -1084.783707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.783707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.783707 (E_RNA)
where:
Base-Base interactions energy: -765.004
where: short stacking energy: -340.449
Base-Backbone interact. energy: -1.415
local terms energy: -318.364874
where:
bonds (distance) C4'-P energy: -47.075
bonds (distance) P-C4' energy: -65.670
flat angles C4'-P-C4' energy: -66.539
flat angles P-C4'-P energy: -46.811
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: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1049.017576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.017576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.017576 (E_RNA)
where:
Base-Base interactions energy: -732.856
where: short stacking energy: -326.439
Base-Backbone interact. energy: -0.631
local terms energy: -315.531150
where:
bonds (distance) C4'-P energy: -54.962
bonds (distance) P-C4' energy: -55.808
flat angles C4'-P-C4' energy: -69.972
flat angles P-C4'-P energy: -44.716
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: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1022.113702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.113702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.113702 (E_RNA)
where:
Base-Base interactions energy: -714.570
where: short stacking energy: -300.776
Base-Backbone interact. energy: 1.150
local terms energy: -308.692809
where:
bonds (distance) C4'-P energy: -53.992
bonds (distance) P-C4' energy: -65.411
flat angles C4'-P-C4' energy: -65.007
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -84.562
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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -986.833172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.833172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.833172 (E_RNA)
where:
Base-Base interactions energy: -694.186
where: short stacking energy: -293.247
Base-Backbone interact. energy: 0.430
local terms energy: -293.076935
where:
bonds (distance) C4'-P energy: -61.641
bonds (distance) P-C4' energy: -39.114
flat angles C4'-P-C4' energy: -62.862
flat angles P-C4'-P energy: -46.391
tors. eta vs tors. theta energy: -83.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -907.878519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.878519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.878519 (E_RNA)
where:
Base-Base interactions energy: -632.817
where: short stacking energy: -278.730
Base-Backbone interact. energy: -0.867
local terms energy: -274.195125
where:
bonds (distance) C4'-P energy: -42.322
bonds (distance) P-C4' energy: -58.292
flat angles C4'-P-C4' energy: -57.479
flat angles P-C4'-P energy: -32.005
tors. eta vs tors. theta energy: -84.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -832.571167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.571167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.571167 (E_RNA)
where:
Base-Base interactions energy: -539.518
where: short stacking energy: -257.838
Base-Backbone interact. energy: 0.317
local terms energy: -293.369913
where:
bonds (distance) C4'-P energy: -54.604
bonds (distance) P-C4' energy: -64.375
flat angles C4'-P-C4' energy: -65.711
flat angles P-C4'-P energy: -39.999
tors. eta vs tors. theta energy: -68.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -716.206568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.206568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.206568 (E_RNA)
where:
Base-Base interactions energy: -466.221
where: short stacking energy: -215.825
Base-Backbone interact. energy: -0.203
local terms energy: -249.783180
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -52.535
flat angles C4'-P-C4' energy: -53.698
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -55.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -519.959987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.959987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.959987 (E_RNA)
where:
Base-Base interactions energy: -318.600
where: short stacking energy: -158.403
Base-Backbone interact. energy: 0.479
local terms energy: -201.839350
where:
bonds (distance) C4'-P energy: -45.904
bonds (distance) P-C4' energy: -48.803
flat angles C4'-P-C4' energy: -52.973
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -417.641107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.641107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.641107 (E_RNA)
where:
Base-Base interactions energy: -233.589
where: short stacking energy: -127.328
Base-Backbone interact. energy: -2.261
local terms energy: -181.791793
where:
bonds (distance) C4'-P energy: -44.483
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -55.840
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1148.328226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.328226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.328226 (E_RNA)
where:
Base-Base interactions energy: -822.997
where: short stacking energy: -332.348
Base-Backbone interact. energy: -1.776
local terms energy: -323.554484
where:
bonds (distance) C4'-P energy: -52.320
bonds (distance) P-C4' energy: -61.949
flat angles C4'-P-C4' energy: -68.789
flat angles P-C4'-P energy: -41.328
tors. eta vs tors. theta energy: -99.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1097.375289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.375289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.375289 (E_RNA)
where:
Base-Base interactions energy: -767.871
where: short stacking energy: -332.797
Base-Backbone interact. energy: 0.588
local terms energy: -330.091920
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -65.497
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -44.982
tors. eta vs tors. theta energy: -96.249
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1059.089009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.089009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.089009 (E_RNA)
where:
Base-Base interactions energy: -721.022
where: short stacking energy: -321.808
Base-Backbone interact. energy: -1.552
local terms energy: -336.514778
where:
bonds (distance) C4'-P energy: -48.400
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -65.663
flat angles P-C4'-P energy: -57.124
tors. eta vs tors. theta energy: -96.921
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: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1021.084153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.084153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.084153 (E_RNA)
where:
Base-Base interactions energy: -721.038
where: short stacking energy: -286.717
Base-Backbone interact. energy: -1.386
local terms energy: -298.660302
where:
bonds (distance) C4'-P energy: -56.707
bonds (distance) P-C4' energy: -55.429
flat angles C4'-P-C4' energy: -57.704
flat angles P-C4'-P energy: -47.527
tors. eta vs tors. theta energy: -81.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1001.986782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.986782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.986782 (E_RNA)
where:
Base-Base interactions energy: -701.618
where: short stacking energy: -302.466
Base-Backbone interact. energy: -0.846
local terms energy: -299.522556
where:
bonds (distance) C4'-P energy: -42.877
bonds (distance) P-C4' energy: -61.796
flat angles C4'-P-C4' energy: -65.190
flat angles P-C4'-P energy: -45.900
tors. eta vs tors. theta energy: -83.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -916.256287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.256287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.256287 (E_RNA)
where:
Base-Base interactions energy: -633.145
where: short stacking energy: -272.714
Base-Backbone interact. energy: -0.182
local terms energy: -282.929480
where:
bonds (distance) C4'-P energy: -46.403
bonds (distance) P-C4' energy: -53.115
flat angles C4'-P-C4' energy: -62.498
flat angles P-C4'-P energy: -42.012
tors. eta vs tors. theta energy: -78.902
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: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -848.114824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.114824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.114824 (E_RNA)
where:
Base-Base interactions energy: -590.958
where: short stacking energy: -258.473
Base-Backbone interact. energy: -0.384
local terms energy: -256.772366
where:
bonds (distance) C4'-P energy: -43.194
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -53.187
flat angles P-C4'-P energy: -35.137
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: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -697.692688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.692688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.692688 (E_RNA)
where:
Base-Base interactions energy: -450.506
where: short stacking energy: -227.225
Base-Backbone interact. energy: 1.105
local terms energy: -248.292442
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -48.919
flat angles C4'-P-C4' energy: -56.162
flat angles P-C4'-P energy: -32.189
tors. eta vs tors. theta energy: -59.422
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: 8
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -548.047016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.047016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.047016 (E_RNA)
where:
Base-Base interactions energy: -316.288
where: short stacking energy: -172.628
Base-Backbone interact. energy: -1.568
local terms energy: -230.191293
where:
bonds (distance) C4'-P energy: -48.084
bonds (distance) P-C4' energy: -61.600
flat angles C4'-P-C4' energy: -49.628
flat angles P-C4'-P energy: -39.414
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -418.009746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.009746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.009746 (E_RNA)
where:
Base-Base interactions energy: -247.498
where: short stacking energy: -122.735
Base-Backbone interact. energy: -0.980
local terms energy: -169.532210
where:
bonds (distance) C4'-P energy: -40.312
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -43.252
flat angles P-C4'-P energy: -22.023
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1147.367556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.367556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.367556 (E_RNA)
where:
Base-Base interactions energy: -823.906
where: short stacking energy: -338.214
Base-Backbone interact. energy: -1.162
local terms energy: -322.299287
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -66.217
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -50.225
tors. eta vs tors. theta energy: -92.154
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: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1096.410393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.410393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.410393 (E_RNA)
where:
Base-Base interactions energy: -762.769
where: short stacking energy: -306.489
Base-Backbone interact. energy: -1.744
local terms energy: -331.898320
where:
bonds (distance) C4'-P energy: -53.582
bonds (distance) P-C4' energy: -58.036
flat angles C4'-P-C4' energy: -75.390
flat angles P-C4'-P energy: -50.832
tors. eta vs tors. theta energy: -94.059
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: 3, replica: 2
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1041.527576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.527576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.527576 (E_RNA)
where:
Base-Base interactions energy: -721.714
where: short stacking energy: -316.868
Base-Backbone interact. energy: -0.492
local terms energy: -319.322126
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -59.603
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -36.515
tors. eta vs tors. theta energy: -97.298
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: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1020.823347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.823347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.823347 (E_RNA)
where:
Base-Base interactions energy: -717.649
where: short stacking energy: -290.458
Base-Backbone interact. energy: 0.626
local terms energy: -303.801018
where:
bonds (distance) C4'-P energy: -57.690
bonds (distance) P-C4' energy: -56.852
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -84.572
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: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -999.071915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.071915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.071915 (E_RNA)
where:
Base-Base interactions energy: -694.138
where: short stacking energy: -300.884
Base-Backbone interact. energy: -0.897
local terms energy: -304.037235
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -61.911
flat angles C4'-P-C4' energy: -61.788
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -90.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -873.578185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.578185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.578185 (E_RNA)
where:
Base-Base interactions energy: -590.716
where: short stacking energy: -268.004
Base-Backbone interact. energy: -0.676
local terms energy: -282.186278
where:
bonds (distance) C4'-P energy: -60.538
bonds (distance) P-C4' energy: -61.748
flat angles C4'-P-C4' energy: -58.476
flat angles P-C4'-P energy: -38.434
tors. eta vs tors. theta energy: -62.990
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: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -897.192040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.192040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.192040 (E_RNA)
where:
Base-Base interactions energy: -621.018
where: short stacking energy: -262.553
Base-Backbone interact. energy: 2.372
local terms energy: -278.546057
where:
bonds (distance) C4'-P energy: -49.967
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -56.314
flat angles P-C4'-P energy: -45.547
tors. eta vs tors. theta energy: -72.414
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: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -656.972248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.972248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.972248 (E_RNA)
where:
Base-Base interactions energy: -413.138
where: short stacking energy: -174.828
Base-Backbone interact. energy: -1.122
local terms energy: -242.712375
where:
bonds (distance) C4'-P energy: -53.564
bonds (distance) P-C4' energy: -53.360
flat angles C4'-P-C4' energy: -55.989
flat angles P-C4'-P energy: -34.737
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -520.357884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.357884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.357884 (E_RNA)
where:
Base-Base interactions energy: -303.401
where: short stacking energy: -156.664
Base-Backbone interact. energy: -0.716
local terms energy: -216.240449
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -47.985
flat angles C4'-P-C4' energy: -41.940
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -35.345
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: 4
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -420.746627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.746627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.746627 (E_RNA)
where:
Base-Base interactions energy: -250.992
where: short stacking energy: -138.184
Base-Backbone interact. energy: -1.894
local terms energy: -167.861273
where:
bonds (distance) C4'-P energy: -48.272
bonds (distance) P-C4' energy: -42.235
flat angles C4'-P-C4' energy: -48.039
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1135.390544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.390544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.390544 (E_RNA)
where:
Base-Base interactions energy: -815.606
where: short stacking energy: -338.345
Base-Backbone interact. energy: -2.082
local terms energy: -317.702309
where:
bonds (distance) C4'-P energy: -49.630
bonds (distance) P-C4' energy: -61.462
flat angles C4'-P-C4' energy: -73.471
flat angles P-C4'-P energy: -41.392
tors. eta vs tors. theta energy: -91.748
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: 3
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1071.005132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.005132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.005132 (E_RNA)
where:
Base-Base interactions energy: -751.971
where: short stacking energy: -320.057
Base-Backbone interact. energy: -0.966
local terms energy: -318.067425
where:
bonds (distance) C4'-P energy: -57.230
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -44.018
tors. eta vs tors. theta energy: -85.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1051.060319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.060319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.060319 (E_RNA)
where:
Base-Base interactions energy: -748.929
where: short stacking energy: -312.042
Base-Backbone interact. energy: -0.999
local terms energy: -301.132378
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -54.563
flat angles C4'-P-C4' energy: -64.160
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -86.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1016.777307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.777307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.777307 (E_RNA)
where:
Base-Base interactions energy: -701.667
where: short stacking energy: -314.846
Base-Backbone interact. energy: -1.106
local terms energy: -314.004133
where:
bonds (distance) C4'-P energy: -56.778
bonds (distance) P-C4' energy: -58.723
flat angles C4'-P-C4' energy: -58.305
flat angles P-C4'-P energy: -46.499
tors. eta vs tors. theta energy: -93.699
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: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1002.002143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.002143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.002143 (E_RNA)
where:
Base-Base interactions energy: -716.382
where: short stacking energy: -306.325
Base-Backbone interact. energy: 4.224
local terms energy: -289.844313
where:
bonds (distance) C4'-P energy: -51.032
bonds (distance) P-C4' energy: -55.484
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -41.942
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: 6, replica: 9
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -871.233414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.233414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.233414 (E_RNA)
where:
Base-Base interactions energy: -601.236
where: short stacking energy: -263.811
Base-Backbone interact. energy: -1.075
local terms energy: -268.922828
where:
bonds (distance) C4'-P energy: -46.425
bonds (distance) P-C4' energy: -58.884
flat angles C4'-P-C4' energy: -56.051
flat angles P-C4'-P energy: -35.857
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: 5
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -909.790434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.790434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.790434 (E_RNA)
where:
Base-Base interactions energy: -629.374
where: short stacking energy: -275.056
Base-Backbone interact. energy: -0.366
local terms energy: -280.050421
where:
bonds (distance) C4'-P energy: -50.139
bonds (distance) P-C4' energy: -47.530
flat angles C4'-P-C4' energy: -57.593
flat angles P-C4'-P energy: -42.984
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: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -720.893964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.893964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.893964 (E_RNA)
where:
Base-Base interactions energy: -460.421
where: short stacking energy: -198.338
Base-Backbone interact. energy: -0.854
local terms energy: -259.618876
where:
bonds (distance) C4'-P energy: -63.405
bonds (distance) P-C4' energy: -52.686
flat angles C4'-P-C4' energy: -61.597
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -575.938398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.938398 (E_RNA)
where:
Base-Base interactions energy: -351.173
where: short stacking energy: -177.523
Base-Backbone interact. energy: 0.243
local terms energy: -225.008385
where:
bonds (distance) C4'-P energy: -52.729
bonds (distance) P-C4' energy: -60.250
flat angles C4'-P-C4' energy: -53.011
flat angles P-C4'-P energy: -32.476
tors. eta vs tors. theta energy: -26.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -403.007095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.007095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.007095 (E_RNA)
where:
Base-Base interactions energy: -225.019
where: short stacking energy: -136.585
Base-Backbone interact. energy: 0.164
local terms energy: -178.151582
where:
bonds (distance) C4'-P energy: -44.497
bonds (distance) P-C4' energy: -39.011
flat angles C4'-P-C4' energy: -43.896
flat angles P-C4'-P energy: -27.969
tors. eta vs tors. theta energy: -22.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1131.462840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.462840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.462840 (E_RNA)
where:
Base-Base interactions energy: -802.059
where: short stacking energy: -343.159
Base-Backbone interact. energy: -0.798
local terms energy: -328.606576
where:
bonds (distance) C4'-P energy: -60.118
bonds (distance) P-C4' energy: -64.808
flat angles C4'-P-C4' energy: -65.502
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -95.811
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: 2, replica: 3
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1067.460990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.460990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.460990 (E_RNA)
where:
Base-Base interactions energy: -743.511
where: short stacking energy: -322.173
Base-Backbone interact. energy: -1.622
local terms energy: -322.328152
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -60.359
flat angles C4'-P-C4' energy: -68.319
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: -88.033
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: 10
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1067.468886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.468886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.468886 (E_RNA)
where:
Base-Base interactions energy: -770.082
where: short stacking energy: -302.342
Base-Backbone interact. energy: -1.794
local terms energy: -295.593479
where:
bonds (distance) C4'-P energy: -58.162
bonds (distance) P-C4' energy: -57.169
flat angles C4'-P-C4' energy: -59.510
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -86.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1016.791008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.791008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.791008 (E_RNA)
where:
Base-Base interactions energy: -699.321
where: short stacking energy: -301.944
Base-Backbone interact. energy: 2.072
local terms energy: -319.542085
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -65.146
flat angles C4'-P-C4' energy: -68.382
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1015.220854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.220854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.220854 (E_RNA)
where:
Base-Base interactions energy: -708.836
where: short stacking energy: -303.542
Base-Backbone interact. energy: -0.395
local terms energy: -305.989428
where:
bonds (distance) C4'-P energy: -51.296
bonds (distance) P-C4' energy: -55.428
flat angles C4'-P-C4' energy: -65.075
flat angles P-C4'-P energy: -46.980
tors. eta vs tors. theta energy: -87.211
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: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -920.506159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.506159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.506159 (E_RNA)
where:
Base-Base interactions energy: -625.488
where: short stacking energy: -279.346
Base-Backbone interact. energy: -1.414
local terms energy: -293.604660
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -62.121
flat angles P-C4'-P energy: -40.332
tors. eta vs tors. theta energy: -80.669
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: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -849.923580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.923580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.923580 (E_RNA)
where:
Base-Base interactions energy: -587.327
where: short stacking energy: -260.685
Base-Backbone interact. energy: -0.603
local terms energy: -261.993654
where:
bonds (distance) C4'-P energy: -51.366
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -58.602
flat angles P-C4'-P energy: -28.361
tors. eta vs tors. theta energy: -76.764
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: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -694.784062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.784062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.784062 (E_RNA)
where:
Base-Base interactions energy: -448.615
where: short stacking energy: -213.718
Base-Backbone interact. energy: 0.217
local terms energy: -246.386679
where:
bonds (distance) C4'-P energy: -51.228
bonds (distance) P-C4' energy: -42.698
flat angles C4'-P-C4' energy: -56.061
flat angles P-C4'-P energy: -45.663
tors. eta vs tors. theta energy: -50.736
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: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -647.520610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.520610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.520610 (E_RNA)
where:
Base-Base interactions energy: -407.365
where: short stacking energy: -197.648
Base-Backbone interact. energy: -1.133
local terms energy: -239.021852
where:
bonds (distance) C4'-P energy: -53.825
bonds (distance) P-C4' energy: -63.032
flat angles C4'-P-C4' energy: -44.478
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -411.572177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.572177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.572177 (E_RNA)
where:
Base-Base interactions energy: -226.157
where: short stacking energy: -133.386
Base-Backbone interact. energy: 0.560
local terms energy: -185.975126
where:
bonds (distance) C4'-P energy: -40.886
bonds (distance) P-C4' energy: -55.980
flat angles C4'-P-C4' energy: -52.721
flat angles P-C4'-P energy: -24.789
tors. eta vs tors. theta energy: -11.599
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: 1, replica: 1
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1144.209129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.209129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.209129 (E_RNA)
where:
Base-Base interactions energy: -814.818
where: short stacking energy: -344.711
Base-Backbone interact. energy: -1.016
local terms energy: -328.375900
where:
bonds (distance) C4'-P energy: -57.075
bonds (distance) P-C4' energy: -63.220
flat angles C4'-P-C4' energy: -70.902
flat angles P-C4'-P energy: -40.617
tors. eta vs tors. theta energy: -96.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1064.826819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.826819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.826819 (E_RNA)
where:
Base-Base interactions energy: -749.433
where: short stacking energy: -328.588
Base-Backbone interact. energy: -0.012
local terms energy: -315.381716
where:
bonds (distance) C4'-P energy: -54.078
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -66.826
flat angles P-C4'-P energy: -47.380
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: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1051.161921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.161921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.161921 (E_RNA)
where:
Base-Base interactions energy: -739.822
where: short stacking energy: -315.504
Base-Backbone interact. energy: -1.827
local terms energy: -309.512578
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -61.514
flat angles C4'-P-C4' energy: -53.707
flat angles P-C4'-P energy: -37.883
tors. eta vs tors. theta energy: -91.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1017.943996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.943996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.943996 (E_RNA)
where:
Base-Base interactions energy: -714.476
where: short stacking energy: -306.934
Base-Backbone interact. energy: -0.506
local terms energy: -302.961844
where:
bonds (distance) C4'-P energy: -51.868
bonds (distance) P-C4' energy: -55.787
flat angles C4'-P-C4' energy: -62.258
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -93.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -988.163194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.163194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.163194 (E_RNA)
where:
Base-Base interactions energy: -695.456
where: short stacking energy: -301.319
Base-Backbone interact. energy: -2.352
local terms energy: -290.355534
where:
bonds (distance) C4'-P energy: -52.254
bonds (distance) P-C4' energy: -59.069
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -38.480
tors. eta vs tors. theta energy: -83.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -917.972967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.972967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.972967 (E_RNA)
where:
Base-Base interactions energy: -619.185
where: short stacking energy: -268.069
Base-Backbone interact. energy: -0.537
local terms energy: -298.250815
where:
bonds (distance) C4'-P energy: -59.956
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -66.277
flat angles P-C4'-P energy: -39.861
tors. eta vs tors. theta energy: -85.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -872.624040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.624040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.624040 (E_RNA)
where:
Base-Base interactions energy: -600.289
where: short stacking energy: -267.182
Base-Backbone interact. energy: -2.480
local terms energy: -269.854450
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -42.119
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -37.506
tors. eta vs tors. theta energy: -75.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -683.276448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.276448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.276448 (E_RNA)
where:
Base-Base interactions energy: -449.072
where: short stacking energy: -189.005
Base-Backbone interact. energy: 2.800
local terms energy: -237.004271
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -48.846
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -33.518
tors. eta vs tors. theta energy: -51.175
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: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -667.593930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.593930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.593930 (E_RNA)
where:
Base-Base interactions energy: -437.123
where: short stacking energy: -196.221
Base-Backbone interact. energy: 2.815
local terms energy: -233.285496
where:
bonds (distance) C4'-P energy: -54.132
bonds (distance) P-C4' energy: -51.433
flat angles C4'-P-C4' energy: -50.592
flat angles P-C4'-P energy: -38.846
tors. eta vs tors. theta energy: -38.282
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: 4
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -395.186457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.186457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.186457 (E_RNA)
where:
Base-Base interactions energy: -221.319
where: short stacking energy: -118.818
Base-Backbone interact. energy: -0.093
local terms energy: -173.773892
where:
bonds (distance) C4'-P energy: -48.040
bonds (distance) P-C4' energy: -54.144
flat angles C4'-P-C4' energy: -39.488
flat angles P-C4'-P energy: -35.066
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1156.124916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.124916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.124916 (E_RNA)
where:
Base-Base interactions energy: -809.296
where: short stacking energy: -339.856
Base-Backbone interact. energy: -2.143
local terms energy: -344.685816
where:
bonds (distance) C4'-P energy: -65.917
bonds (distance) P-C4' energy: -66.971
flat angles C4'-P-C4' energy: -75.187
flat angles P-C4'-P energy: -45.260
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: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1055.970559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.970559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.970559 (E_RNA)
where:
Base-Base interactions energy: -739.316
where: short stacking energy: -326.568
Base-Backbone interact. energy: -2.101
local terms energy: -314.553244
where:
bonds (distance) C4'-P energy: -62.404
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -58.481
flat angles P-C4'-P energy: -41.235
tors. eta vs tors. theta energy: -93.618
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: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1029.080340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.080340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.080340 (E_RNA)
where:
Base-Base interactions energy: -715.350
where: short stacking energy: -303.961
Base-Backbone interact. energy: -1.993
local terms energy: -311.737331
where:
bonds (distance) C4'-P energy: -60.939
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -64.906
flat angles P-C4'-P energy: -38.548
tors. eta vs tors. theta energy: -90.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1035.823262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.823262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.823262 (E_RNA)
where:
Base-Base interactions energy: -711.622
where: short stacking energy: -328.403
Base-Backbone interact. energy: -0.971
local terms energy: -323.230701
where:
bonds (distance) C4'-P energy: -52.027
bonds (distance) P-C4' energy: -55.005
flat angles C4'-P-C4' energy: -66.395
flat angles P-C4'-P energy: -55.107
tors. eta vs tors. theta energy: -94.697
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: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -969.453789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.453789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.453789 (E_RNA)
where:
Base-Base interactions energy: -688.866
where: short stacking energy: -287.657
Base-Backbone interact. energy: -1.165
local terms energy: -279.422747
where:
bonds (distance) C4'-P energy: -57.087
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -59.343
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -73.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -869.029181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.029181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.029181 (E_RNA)
where:
Base-Base interactions energy: -594.796
where: short stacking energy: -249.440
Base-Backbone interact. energy: 2.446
local terms energy: -276.678525
where:
bonds (distance) C4'-P energy: -49.287
bonds (distance) P-C4' energy: -54.593
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -64.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -919.803487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.803487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.803487 (E_RNA)
where:
Base-Base interactions energy: -645.295
where: short stacking energy: -286.043
Base-Backbone interact. energy: 0.510
local terms energy: -275.018416
where:
bonds (distance) C4'-P energy: -45.845
bonds (distance) P-C4' energy: -60.824
flat angles C4'-P-C4' energy: -50.665
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -78.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -665.516498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.516498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.516498 (E_RNA)
where:
Base-Base interactions energy: -424.932
where: short stacking energy: -197.380
Base-Backbone interact. energy: -1.065
local terms energy: -239.519815
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -50.298
flat angles C4'-P-C4' energy: -54.427
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -50.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -673.465550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.465550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.465550 (E_RNA)
where:
Base-Base interactions energy: -427.808
where: short stacking energy: -196.018
Base-Backbone interact. energy: -1.234
local terms energy: -244.423876
where:
bonds (distance) C4'-P energy: -41.385
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -52.998
flat angles P-C4'-P energy: -39.580
tors. eta vs tors. theta energy: -50.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -406.332304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.332304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.332304 (E_RNA)
where:
Base-Base interactions energy: -226.953
where: short stacking energy: -123.468
Base-Backbone interact. energy: -2.204
local terms energy: -177.175543
where:
bonds (distance) C4'-P energy: -41.782
bonds (distance) P-C4' energy: -48.421
flat angles C4'-P-C4' energy: -43.331
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -5.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1138.601501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.601501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.601501 (E_RNA)
where:
Base-Base interactions energy: -815.578
where: short stacking energy: -353.862
Base-Backbone interact. energy: -0.030
local terms energy: -322.993848
where:
bonds (distance) C4'-P energy: -62.839
bonds (distance) P-C4' energy: -55.334
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -46.910
tors. eta vs tors. theta energy: -93.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1030.112385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.112385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.112385 (E_RNA)
where:
Base-Base interactions energy: -697.951
where: short stacking energy: -310.072
Base-Backbone interact. energy: -0.920
local terms energy: -331.241811
where:
bonds (distance) C4'-P energy: -61.214
bonds (distance) P-C4' energy: -68.098
flat angles C4'-P-C4' energy: -66.106
flat angles P-C4'-P energy: -48.038
tors. eta vs tors. theta energy: -87.786
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: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1019.641660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.641660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.641660 (E_RNA)
where:
Base-Base interactions energy: -717.213
where: short stacking energy: -308.280
Base-Backbone interact. energy: -0.513
local terms energy: -301.914964
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -57.260
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -46.144
tors. eta vs tors. theta energy: -81.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1013.944407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.944407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.944407 (E_RNA)
where:
Base-Base interactions energy: -725.547
where: short stacking energy: -298.742
Base-Backbone interact. energy: -1.848
local terms energy: -286.549240
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -52.371
flat angles C4'-P-C4' energy: -62.489
flat angles P-C4'-P energy: -34.400
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: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -988.692985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.692985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.692985 (E_RNA)
where:
Base-Base interactions energy: -703.679
where: short stacking energy: -308.968
Base-Backbone interact. energy: -0.180
local terms energy: -284.833626
where:
bonds (distance) C4'-P energy: -42.761
bonds (distance) P-C4' energy: -51.100
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -42.040
tors. eta vs tors. theta energy: -85.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -885.142679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.142679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.142679 (E_RNA)
where:
Base-Base interactions energy: -602.191
where: short stacking energy: -277.796
Base-Backbone interact. energy: 1.180
local terms energy: -284.131064
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -53.770
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -34.792
tors. eta vs tors. theta energy: -75.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -935.518923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.518923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.518923 (E_RNA)
where:
Base-Base interactions energy: -654.024
where: short stacking energy: -277.533
Base-Backbone interact. energy: -0.281
local terms energy: -281.214368
where:
bonds (distance) C4'-P energy: -55.668
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -34.071
tors. eta vs tors. theta energy: -78.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -701.846774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.846774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.846774 (E_RNA)
where:
Base-Base interactions energy: -450.990
where: short stacking energy: -205.940
Base-Backbone interact. energy: -0.296
local terms energy: -250.560616
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -47.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -674.716666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.716666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.716666 (E_RNA)
where:
Base-Base interactions energy: -463.241
where: short stacking energy: -205.011
Base-Backbone interact. energy: -1.184
local terms energy: -210.292378
where:
bonds (distance) C4'-P energy: -53.366
bonds (distance) P-C4' energy: -39.162
flat angles C4'-P-C4' energy: -44.179
flat angles P-C4'-P energy: -35.978
tors. eta vs tors. theta energy: -37.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -426.425007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.425007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.425007 (E_RNA)
where:
Base-Base interactions energy: -221.312
where: short stacking energy: -115.528
Base-Backbone interact. energy: 2.311
local terms energy: -207.424616
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -60.133
flat angles C4'-P-C4' energy: -45.483
flat angles P-C4'-P energy: -34.346
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1138.682526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.682526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.682526 (E_RNA)
where:
Base-Base interactions energy: -813.486
where: short stacking energy: -328.670
Base-Backbone interact. energy: -1.210
local terms energy: -323.986441
where:
bonds (distance) C4'-P energy: -59.933
bonds (distance) P-C4' energy: -61.876
flat angles C4'-P-C4' energy: -68.473
flat angles P-C4'-P energy: -45.559
tors. eta vs tors. theta energy: -88.145
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: 283
Temperature: 0.950000
Total energy: -1066.855297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.855297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.855297 (E_RNA)
where:
Base-Base interactions energy: -748.529
where: short stacking energy: -313.279
Base-Backbone interact. energy: -0.168
local terms energy: -318.158302
where:
bonds (distance) C4'-P energy: -55.971
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -69.116
flat angles P-C4'-P energy: -49.094
tors. eta vs tors. theta energy: -83.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1023.206973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.206973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.206973 (E_RNA)
where:
Base-Base interactions energy: -715.971
where: short stacking energy: -304.821
Base-Backbone interact. energy: -0.803
local terms energy: -306.433202
where:
bonds (distance) C4'-P energy: -58.259
bonds (distance) P-C4' energy: -61.494
flat angles C4'-P-C4' energy: -61.520
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -86.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1007.840341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.840341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.840341 (E_RNA)
where:
Base-Base interactions energy: -698.005
where: short stacking energy: -274.567
Base-Backbone interact. energy: -1.613
local terms energy: -308.221994
where:
bonds (distance) C4'-P energy: -64.352
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -66.332
flat angles P-C4'-P energy: -47.078
tors. eta vs tors. theta energy: -74.882
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: 5, replica: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -996.946062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.946062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.946062 (E_RNA)
where:
Base-Base interactions energy: -714.803
where: short stacking energy: -313.884
Base-Backbone interact. energy: -1.838
local terms energy: -280.304743
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -48.643
flat angles C4'-P-C4' energy: -59.725
flat angles P-C4'-P energy: -34.177
tors. eta vs tors. theta energy: -89.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -946.034409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.034409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.034409 (E_RNA)
where:
Base-Base interactions energy: -652.240
where: short stacking energy: -283.717
Base-Backbone interact. energy: -1.043
local terms energy: -292.752212
where:
bonds (distance) C4'-P energy: -56.413
bonds (distance) P-C4' energy: -53.704
flat angles C4'-P-C4' energy: -55.837
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -77.731
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: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -861.607013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.607013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.607013 (E_RNA)
where:
Base-Base interactions energy: -590.973
where: short stacking energy: -257.135
Base-Backbone interact. energy: -0.866
local terms energy: -269.768128
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -53.550
flat angles C4'-P-C4' energy: -59.438
flat angles P-C4'-P energy: -37.183
tors. eta vs tors. theta energy: -69.248
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: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -716.318565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.318565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.318565 (E_RNA)
where:
Base-Base interactions energy: -460.308
where: short stacking energy: -217.273
Base-Backbone interact. energy: 0.167
local terms energy: -256.177888
where:
bonds (distance) C4'-P energy: -62.375
bonds (distance) P-C4' energy: -47.638
flat angles C4'-P-C4' energy: -60.471
flat angles P-C4'-P energy: -36.597
tors. eta vs tors. theta energy: -49.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -659.205128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.205128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.205128 (E_RNA)
where:
Base-Base interactions energy: -423.047
where: short stacking energy: -204.532
Base-Backbone interact. energy: -1.600
local terms energy: -234.557893
where:
bonds (distance) C4'-P energy: -52.267
bonds (distance) P-C4' energy: -49.658
flat angles C4'-P-C4' energy: -56.222
flat angles P-C4'-P energy: -26.182
tors. eta vs tors. theta energy: -50.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -407.500702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.500702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.500702 (E_RNA)
where:
Base-Base interactions energy: -216.928
where: short stacking energy: -113.681
Base-Backbone interact. energy: 0.328
local terms energy: -190.901359
where:
bonds (distance) C4'-P energy: -47.206
bonds (distance) P-C4' energy: -57.803
flat angles C4'-P-C4' energy: -52.929
flat angles P-C4'-P energy: -27.191
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1147.977176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.977176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.977176 (E_RNA)
where:
Base-Base interactions energy: -814.784
where: short stacking energy: -338.911
Base-Backbone interact. energy: -3.902
local terms energy: -329.291545
where:
bonds (distance) C4'-P energy: -62.360
bonds (distance) P-C4' energy: -58.641
flat angles C4'-P-C4' energy: -69.093
flat angles P-C4'-P energy: -42.058
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: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1049.786797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.786797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.786797 (E_RNA)
where:
Base-Base interactions energy: -738.788
where: short stacking energy: -305.995
Base-Backbone interact. energy: -0.322
local terms energy: -310.677051
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -57.890
flat angles C4'-P-C4' energy: -66.218
flat angles P-C4'-P energy: -40.152
tors. eta vs tors. theta energy: -91.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1026.045812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.045812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.045812 (E_RNA)
where:
Base-Base interactions energy: -707.359
where: short stacking energy: -301.830
Base-Backbone interact. energy: 0.874
local terms energy: -319.560231
where:
bonds (distance) C4'-P energy: -63.429
bonds (distance) P-C4' energy: -62.766
flat angles C4'-P-C4' energy: -64.541
flat angles P-C4'-P energy: -49.319
tors. eta vs tors. theta energy: -79.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1049.803339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.803339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.803339 (E_RNA)
where:
Base-Base interactions energy: -736.235
where: short stacking energy: -308.408
Base-Backbone interact. energy: -1.096
local terms energy: -312.472442
where:
bonds (distance) C4'-P energy: -58.750
bonds (distance) P-C4' energy: -42.144
flat angles C4'-P-C4' energy: -67.162
flat angles P-C4'-P energy: -50.388
tors. eta vs tors. theta energy: -94.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -972.186511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.186511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.186511 (E_RNA)
where:
Base-Base interactions energy: -671.107
where: short stacking energy: -284.149
Base-Backbone interact. energy: 0.428
local terms energy: -301.507265
where:
bonds (distance) C4'-P energy: -45.349
bonds (distance) P-C4' energy: -62.002
flat angles C4'-P-C4' energy: -66.392
flat angles P-C4'-P energy: -50.493
tors. eta vs tors. theta energy: -77.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -950.983014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.983014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.983014 (E_RNA)
where:
Base-Base interactions energy: -633.585
where: short stacking energy: -278.998
Base-Backbone interact. energy: -2.597
local terms energy: -314.800637
where:
bonds (distance) C4'-P energy: -57.461
bonds (distance) P-C4' energy: -50.447
flat angles C4'-P-C4' energy: -66.940
flat angles P-C4'-P energy: -50.275
tors. eta vs tors. theta energy: -89.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -724.801131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.801131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.801131 (E_RNA)
where:
Base-Base interactions energy: -464.341
where: short stacking energy: -211.104
Base-Backbone interact. energy: -1.333
local terms energy: -259.127233
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -60.810
flat angles P-C4'-P energy: -42.149
tors. eta vs tors. theta energy: -52.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -832.463477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.463477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.463477 (E_RNA)
where:
Base-Base interactions energy: -579.164
where: short stacking energy: -242.871
Base-Backbone interact. energy: -1.258
local terms energy: -252.041481
where:
bonds (distance) C4'-P energy: -50.941
bonds (distance) P-C4' energy: -43.614
flat angles C4'-P-C4' energy: -61.265
flat angles P-C4'-P energy: -31.196
tors. eta vs tors. theta energy: -65.025
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: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -643.214645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.214645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.214645 (E_RNA)
where:
Base-Base interactions energy: -413.740
where: short stacking energy: -196.108
Base-Backbone interact. energy: 0.002
local terms energy: -229.475849
where:
bonds (distance) C4'-P energy: -41.970
bonds (distance) P-C4' energy: -42.054
flat angles C4'-P-C4' energy: -51.870
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: -48.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -438.893918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.893918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.893918 (E_RNA)
where:
Base-Base interactions energy: -251.654
where: short stacking energy: -149.976
Base-Backbone interact. energy: -1.350
local terms energy: -185.889540
where:
bonds (distance) C4'-P energy: -42.049
bonds (distance) P-C4' energy: -39.499
flat angles C4'-P-C4' energy: -55.881
flat angles P-C4'-P energy: -29.168
tors. eta vs tors. theta energy: -19.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1127.763138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.763138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.763138 (E_RNA)
where:
Base-Base interactions energy: -800.012
where: short stacking energy: -318.872
Base-Backbone interact. energy: -1.504
local terms energy: -326.247058
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -72.681
flat angles P-C4'-P energy: -47.032
tors. eta vs tors. theta energy: -86.451
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: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1070.030745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.030745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.030745 (E_RNA)
where:
Base-Base interactions energy: -747.276
where: short stacking energy: -311.313
Base-Backbone interact. energy: -1.918
local terms energy: -320.836666
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -51.945
flat angles C4'-P-C4' energy: -72.573
flat angles P-C4'-P energy: -49.477
tors. eta vs tors. theta energy: -89.084
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: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1023.873801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.873801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.873801 (E_RNA)
where:
Base-Base interactions energy: -702.994
where: short stacking energy: -299.612
Base-Backbone interact. energy: -0.279
local terms energy: -320.600931
where:
bonds (distance) C4'-P energy: -60.350
bonds (distance) P-C4' energy: -54.340
flat angles C4'-P-C4' energy: -74.152
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -83.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1033.036338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.036338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.036338 (E_RNA)
where:
Base-Base interactions energy: -735.823
where: short stacking energy: -298.475
Base-Backbone interact. energy: -0.649
local terms energy: -296.564633
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -63.876
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -82.780
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: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -994.930763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.930763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.930763 (E_RNA)
where:
Base-Base interactions energy: -704.673
where: short stacking energy: -307.852
Base-Backbone interact. energy: 0.272
local terms energy: -290.529325
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -52.420
flat angles C4'-P-C4' energy: -69.843
flat angles P-C4'-P energy: -31.292
tors. eta vs tors. theta energy: -89.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -955.096921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.096921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.096921 (E_RNA)
where:
Base-Base interactions energy: -652.113
where: short stacking energy: -286.517
Base-Backbone interact. energy: -0.691
local terms energy: -302.292991
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -51.204
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: -78.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -677.966047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.966047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.966047 (E_RNA)
where:
Base-Base interactions energy: -442.554
where: short stacking energy: -202.570
Base-Backbone interact. energy: -1.335
local terms energy: -234.077289
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -35.785
tors. eta vs tors. theta energy: -44.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -781.906526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.906526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.906526 (E_RNA)
where:
Base-Base interactions energy: -524.711
where: short stacking energy: -222.248
Base-Backbone interact. energy: -0.367
local terms energy: -256.828883
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -50.244
flat angles C4'-P-C4' energy: -53.925
flat angles P-C4'-P energy: -40.142
tors. eta vs tors. theta energy: -58.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -651.913936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.913936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.913936 (E_RNA)
where:
Base-Base interactions energy: -442.479
where: short stacking energy: -192.609
Base-Backbone interact. energy: 4.206
local terms energy: -213.640377
where:
bonds (distance) C4'-P energy: -43.783
bonds (distance) P-C4' energy: -56.772
flat angles C4'-P-C4' energy: -47.653
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -35.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -415.309128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.309128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.309128 (E_RNA)
where:
Base-Base interactions energy: -229.421
where: short stacking energy: -140.616
Base-Backbone interact. energy: -0.910
local terms energy: -184.978164
where:
bonds (distance) C4'-P energy: -43.289
bonds (distance) P-C4' energy: -46.606
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -42.021
tors. eta vs tors. theta energy: -7.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1136.917132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.917132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.917132 (E_RNA)
where:
Base-Base interactions energy: -813.461
where: short stacking energy: -338.818
Base-Backbone interact. energy: -1.709
local terms energy: -321.746408
where:
bonds (distance) C4'-P energy: -62.366
bonds (distance) P-C4' energy: -58.983
flat angles C4'-P-C4' energy: -64.995
flat angles P-C4'-P energy: -39.177
tors. eta vs tors. theta energy: -96.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1091.372780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.372780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.372780 (E_RNA)
where:
Base-Base interactions energy: -758.306
where: short stacking energy: -333.858
Base-Backbone interact. energy: -1.384
local terms energy: -331.682641
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -64.455
flat angles C4'-P-C4' energy: -79.288
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -86.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1037.366202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.366202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.366202 (E_RNA)
where:
Base-Base interactions energy: -728.728
where: short stacking energy: -320.154
Base-Backbone interact. energy: 4.466
local terms energy: -313.103987
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -61.833
flat angles C4'-P-C4' energy: -65.559
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -88.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1002.570324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.570324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.570324 (E_RNA)
where:
Base-Base interactions energy: -701.311
where: short stacking energy: -296.119
Base-Backbone interact. energy: 1.440
local terms energy: -302.698814
where:
bonds (distance) C4'-P energy: -55.532
bonds (distance) P-C4' energy: -62.219
flat angles C4'-P-C4' energy: -59.341
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -81.045
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: 6
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -977.553515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.553515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.553515 (E_RNA)
where:
Base-Base interactions energy: -694.010
where: short stacking energy: -292.814
Base-Backbone interact. energy: -1.207
local terms energy: -282.336605
where:
bonds (distance) C4'-P energy: -52.006
bonds (distance) P-C4' energy: -48.910
flat angles C4'-P-C4' energy: -67.344
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -82.756
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: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -960.837212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.837212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.837212 (E_RNA)
where:
Base-Base interactions energy: -667.579
where: short stacking energy: -298.346
Base-Backbone interact. energy: -1.597
local terms energy: -291.660949
where:
bonds (distance) C4'-P energy: -49.299
bonds (distance) P-C4' energy: -63.909
flat angles C4'-P-C4' energy: -64.658
flat angles P-C4'-P energy: -29.619
tors. eta vs tors. theta energy: -84.177
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: 286
Temperature: 1.200000
Total energy: -835.179732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.179732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.179732 (E_RNA)
where:
Base-Base interactions energy: -567.941
where: short stacking energy: -224.860
Base-Backbone interact. energy: -1.464
local terms energy: -265.774183
where:
bonds (distance) C4'-P energy: -60.858
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -36.045
tors. eta vs tors. theta energy: -51.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -679.106536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.106536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.106536 (E_RNA)
where:
Base-Base interactions energy: -457.988
where: short stacking energy: -208.485
Base-Backbone interact. energy: -0.841
local terms energy: -220.278289
where:
bonds (distance) C4'-P energy: -48.467
bonds (distance) P-C4' energy: -40.446
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -29.411
tors. eta vs tors. theta energy: -48.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -639.830044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.830044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.830044 (E_RNA)
where:
Base-Base interactions energy: -420.943
where: short stacking energy: -177.922
Base-Backbone interact. energy: 1.733
local terms energy: -220.620060
where:
bonds (distance) C4'-P energy: -50.838
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -45.101
flat angles P-C4'-P energy: -29.883
tors. eta vs tors. theta energy: -40.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -404.888737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.888737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.888737 (E_RNA)
where:
Base-Base interactions energy: -236.721
where: short stacking energy: -119.751
Base-Backbone interact. energy: -0.977
local terms energy: -167.190289
where:
bonds (distance) C4'-P energy: -54.342
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -37.047
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1145.734010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.734010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.734010 (E_RNA)
where:
Base-Base interactions energy: -819.400
where: short stacking energy: -334.178
Base-Backbone interact. energy: -1.175
local terms energy: -325.159394
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -62.344
flat angles C4'-P-C4' energy: -73.629
flat angles P-C4'-P energy: -36.250
tors. eta vs tors. theta energy: -93.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1081.108466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.108466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.108466 (E_RNA)
where:
Base-Base interactions energy: -764.108
where: short stacking energy: -319.094
Base-Backbone interact. energy: -1.774
local terms energy: -315.226049
where:
bonds (distance) C4'-P energy: -61.568
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -66.069
flat angles P-C4'-P energy: -42.527
tors. eta vs tors. theta energy: -89.867
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: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1073.680063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.680063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.680063 (E_RNA)
where:
Base-Base interactions energy: -747.541
where: short stacking energy: -316.766
Base-Backbone interact. energy: -0.701
local terms energy: -325.438332
where:
bonds (distance) C4'-P energy: -64.068
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -73.570
flat angles P-C4'-P energy: -43.393
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1035.189405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.189405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.189405 (E_RNA)
where:
Base-Base interactions energy: -722.232
where: short stacking energy: -309.560
Base-Backbone interact. energy: -0.335
local terms energy: -312.622971
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -59.835
flat angles C4'-P-C4' energy: -71.704
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -86.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -968.355539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.355539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.355539 (E_RNA)
where:
Base-Base interactions energy: -672.652
where: short stacking energy: -301.238
Base-Backbone interact. energy: -0.388
local terms energy: -295.315488
where:
bonds (distance) C4'-P energy: -54.820
bonds (distance) P-C4' energy: -49.179
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -36.622
tors. eta vs tors. theta energy: -89.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -886.600751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.600751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.600751 (E_RNA)
where:
Base-Base interactions energy: -610.516
where: short stacking energy: -272.206
Base-Backbone interact. energy: -1.589
local terms energy: -274.495585
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -53.771
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -41.194
tors. eta vs tors. theta energy: -68.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -793.763119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.763119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.763119 (E_RNA)
where:
Base-Base interactions energy: -541.568
where: short stacking energy: -227.285
Base-Backbone interact. energy: 3.103
local terms energy: -255.297293
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -42.628
flat angles C4'-P-C4' energy: -52.265
flat angles P-C4'-P energy: -50.794
tors. eta vs tors. theta energy: -59.612
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: 7
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -657.824582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.824582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.824582 (E_RNA)
where:
Base-Base interactions energy: -454.227
where: short stacking energy: -202.255
Base-Backbone interact. energy: -1.171
local terms energy: -202.426155
where:
bonds (distance) C4'-P energy: -48.987
bonds (distance) P-C4' energy: -32.065
flat angles C4'-P-C4' energy: -51.139
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -44.867
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: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -635.943348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.943348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.943348 (E_RNA)
where:
Base-Base interactions energy: -417.772
where: short stacking energy: -186.118
Base-Backbone interact. energy: -1.750
local terms energy: -216.421788
where:
bonds (distance) C4'-P energy: -43.820
bonds (distance) P-C4' energy: -54.466
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -30.247
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: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -411.061482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.061482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.061482 (E_RNA)
where:
Base-Base interactions energy: -223.552
where: short stacking energy: -125.127
Base-Backbone interact. energy: 4.511
local terms energy: -192.020219
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -58.316
flat angles C4'-P-C4' energy: -48.547
flat angles P-C4'-P energy: -26.743
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: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1155.305296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.305296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.305296 (E_RNA)
where:
Base-Base interactions energy: -819.136
where: short stacking energy: -333.018
Base-Backbone interact. energy: 0.730
local terms energy: -336.899303
where:
bonds (distance) C4'-P energy: -63.732
bonds (distance) P-C4' energy: -60.754
flat angles C4'-P-C4' energy: -73.910
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -90.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1087.957225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.957225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.957225 (E_RNA)
where:
Base-Base interactions energy: -771.781
where: short stacking energy: -321.342
Base-Backbone interact. energy: -0.456
local terms energy: -315.720657
where:
bonds (distance) C4'-P energy: -54.269
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -45.110
tors. eta vs tors. theta energy: -90.670
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: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1065.932079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.932079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.932079 (E_RNA)
where:
Base-Base interactions energy: -755.425
where: short stacking energy: -336.768
Base-Backbone interact. energy: -0.978
local terms energy: -309.528530
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -54.455
flat angles C4'-P-C4' energy: -68.098
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -93.392
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: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1007.438016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.438016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.438016 (E_RNA)
where:
Base-Base interactions energy: -698.802
where: short stacking energy: -304.410
Base-Backbone interact. energy: 1.534
local terms energy: -310.170086
where:
bonds (distance) C4'-P energy: -51.993
bonds (distance) P-C4' energy: -60.888
flat angles C4'-P-C4' energy: -69.359
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -80.421
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: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -983.333431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.333431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.333431 (E_RNA)
where:
Base-Base interactions energy: -677.751
where: short stacking energy: -286.885
Base-Backbone interact. energy: -1.259
local terms energy: -304.323460
where:
bonds (distance) C4'-P energy: -64.043
bonds (distance) P-C4' energy: -61.768
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -84.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -936.597099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.597099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.597099 (E_RNA)
where:
Base-Base interactions energy: -662.997
where: short stacking energy: -286.757
Base-Backbone interact. energy: -0.190
local terms energy: -273.409859
where:
bonds (distance) C4'-P energy: -53.750
bonds (distance) P-C4' energy: -54.004
flat angles C4'-P-C4' energy: -60.871
flat angles P-C4'-P energy: -38.207
tors. eta vs tors. theta energy: -66.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -800.362609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.362609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.362609 (E_RNA)
where:
Base-Base interactions energy: -547.280
where: short stacking energy: -234.470
Base-Backbone interact. energy: -0.555
local terms energy: -252.527897
where:
bonds (distance) C4'-P energy: -53.556
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -50.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -659.573842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.573842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.573842 (E_RNA)
where:
Base-Base interactions energy: -417.938
where: short stacking energy: -187.809
Base-Backbone interact. energy: -0.736
local terms energy: -240.899278
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -53.624
flat angles C4'-P-C4' energy: -47.098
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -51.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -640.147636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.147636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.147636 (E_RNA)
where:
Base-Base interactions energy: -416.498
where: short stacking energy: -184.929
Base-Backbone interact. energy: -0.932
local terms energy: -222.717399
where:
bonds (distance) C4'-P energy: -58.232
bonds (distance) P-C4' energy: -48.079
flat angles C4'-P-C4' energy: -44.542
flat angles P-C4'-P energy: -33.335
tors. eta vs tors. theta energy: -38.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -410.166128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.166128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.166128 (E_RNA)
where:
Base-Base interactions energy: -230.517
where: short stacking energy: -122.054
Base-Backbone interact. energy: -1.491
local terms energy: -178.157657
where:
bonds (distance) C4'-P energy: -58.018
bonds (distance) P-C4' energy: -43.014
flat angles C4'-P-C4' energy: -46.219
flat angles P-C4'-P energy: -19.558
tors. eta vs tors. theta energy: -11.349
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: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1147.686159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.686159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.686159 (E_RNA)
where:
Base-Base interactions energy: -819.966
where: short stacking energy: -339.707
Base-Backbone interact. energy: -1.352
local terms energy: -326.368867
where:
bonds (distance) C4'-P energy: -61.482
bonds (distance) P-C4' energy: -56.330
flat angles C4'-P-C4' energy: -71.948
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -95.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1093.808219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.808219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.808219 (E_RNA)
where:
Base-Base interactions energy: -758.485
where: short stacking energy: -329.788
Base-Backbone interact. energy: -1.601
local terms energy: -333.721782
where:
bonds (distance) C4'-P energy: -61.582
bonds (distance) P-C4' energy: -63.448
flat angles C4'-P-C4' energy: -65.005
flat angles P-C4'-P energy: -49.720
tors. eta vs tors. theta energy: -93.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1066.063786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.063786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.063786 (E_RNA)
where:
Base-Base interactions energy: -748.917
where: short stacking energy: -312.582
Base-Backbone interact. energy: -0.903
local terms energy: -316.243984
where:
bonds (distance) C4'-P energy: -54.698
bonds (distance) P-C4' energy: -57.948
flat angles C4'-P-C4' energy: -69.977
flat angles P-C4'-P energy: -46.034
tors. eta vs tors. theta energy: -87.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1025.631468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.631468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.631468 (E_RNA)
where:
Base-Base interactions energy: -715.466
where: short stacking energy: -302.834
Base-Backbone interact. energy: -1.302
local terms energy: -308.863818
where:
bonds (distance) C4'-P energy: -51.486
bonds (distance) P-C4' energy: -66.980
flat angles C4'-P-C4' energy: -63.493
flat angles P-C4'-P energy: -45.142
tors. eta vs tors. theta energy: -81.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -951.670072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.670072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.670072 (E_RNA)
where:
Base-Base interactions energy: -653.740
where: short stacking energy: -280.242
Base-Backbone interact. energy: -0.134
local terms energy: -297.795244
where:
bonds (distance) C4'-P energy: -54.860
bonds (distance) P-C4' energy: -49.406
flat angles C4'-P-C4' energy: -71.225
flat angles P-C4'-P energy: -41.705
tors. eta vs tors. theta energy: -80.599
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: 6, replica: 5
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -945.129951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.129951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.129951 (E_RNA)
where:
Base-Base interactions energy: -649.276
where: short stacking energy: -289.568
Base-Backbone interact. energy: -0.440
local terms energy: -295.414331
where:
bonds (distance) C4'-P energy: -44.837
bonds (distance) P-C4' energy: -63.276
flat angles C4'-P-C4' energy: -73.585
flat angles P-C4'-P energy: -37.195
tors. eta vs tors. theta energy: -76.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -831.344479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.344479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.344479 (E_RNA)
where:
Base-Base interactions energy: -565.782
where: short stacking energy: -234.946
Base-Backbone interact. energy: 0.105
local terms energy: -265.667653
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -58.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -650.533254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.533254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.533254 (E_RNA)
where:
Base-Base interactions energy: -421.054
where: short stacking energy: -183.511
Base-Backbone interact. energy: 0.128
local terms energy: -229.606936
where:
bonds (distance) C4'-P energy: -59.482
bonds (distance) P-C4' energy: -42.095
flat angles C4'-P-C4' energy: -52.423
flat angles P-C4'-P energy: -44.091
tors. eta vs tors. theta energy: -31.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -609.528980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.528980 (E_RNA)
where:
Base-Base interactions energy: -404.565
where: short stacking energy: -185.523
Base-Backbone interact. energy: 0.158
local terms energy: -205.121648
where:
bonds (distance) C4'-P energy: -42.494
bonds (distance) P-C4' energy: -58.363
flat angles C4'-P-C4' energy: -47.790
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: -25.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -411.503406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.503406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.503406 (E_RNA)
where:
Base-Base interactions energy: -197.684
where: short stacking energy: -108.408
Base-Backbone interact. energy: -1.185
local terms energy: -212.634893
where:
bonds (distance) C4'-P energy: -63.184
bonds (distance) P-C4' energy: -53.941
flat angles C4'-P-C4' energy: -53.422
flat angles P-C4'-P energy: -30.207
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1129.681442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.681442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.681442 (E_RNA)
where:
Base-Base interactions energy: -804.977
where: short stacking energy: -332.292
Base-Backbone interact. energy: -1.646
local terms energy: -323.058264
where:
bonds (distance) C4'-P energy: -59.348
bonds (distance) P-C4' energy: -57.264
flat angles C4'-P-C4' energy: -68.967
flat angles P-C4'-P energy: -44.051
tors. eta vs tors. theta energy: -93.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1107.056700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.056700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.056700 (E_RNA)
where:
Base-Base interactions energy: -771.408
where: short stacking energy: -337.417
Base-Backbone interact. energy: -3.476
local terms energy: -332.172689
where:
bonds (distance) C4'-P energy: -71.705
bonds (distance) P-C4' energy: -59.130
flat angles C4'-P-C4' energy: -59.406
flat angles P-C4'-P energy: -44.348
tors. eta vs tors. theta energy: -97.583
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: 10
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1060.002014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.002014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.002014 (E_RNA)
where:
Base-Base interactions energy: -737.493
where: short stacking energy: -313.508
Base-Backbone interact. energy: -1.397
local terms energy: -321.112030
where:
bonds (distance) C4'-P energy: -64.057
bonds (distance) P-C4' energy: -50.829
flat angles C4'-P-C4' energy: -65.242
flat angles P-C4'-P energy: -46.932
tors. eta vs tors. theta energy: -94.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1052.598350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.598350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.598350 (E_RNA)
where:
Base-Base interactions energy: -746.225
where: short stacking energy: -310.902
Base-Backbone interact. energy: -2.841
local terms energy: -303.532834
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -65.095
flat angles C4'-P-C4' energy: -65.188
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -81.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -953.371330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.371330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.371330 (E_RNA)
where:
Base-Base interactions energy: -659.641
where: short stacking energy: -299.336
Base-Backbone interact. energy: 1.504
local terms energy: -295.234302
where:
bonds (distance) C4'-P energy: -56.361
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -64.307
flat angles P-C4'-P energy: -37.312
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -929.855839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.855839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.855839 (E_RNA)
where:
Base-Base interactions energy: -635.854
where: short stacking energy: -276.217
Base-Backbone interact. energy: -1.170
local terms energy: -292.832168
where:
bonds (distance) C4'-P energy: -49.290
bonds (distance) P-C4' energy: -57.553
flat angles C4'-P-C4' energy: -68.602
flat angles P-C4'-P energy: -45.248
tors. eta vs tors. theta energy: -72.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -679.798355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.798355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.798355 (E_RNA)
where:
Base-Base interactions energy: -441.804
where: short stacking energy: -208.024
Base-Backbone interact. energy: 0.719
local terms energy: -238.713425
where:
bonds (distance) C4'-P energy: -49.265
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -52.337
flat angles P-C4'-P energy: -34.475
tors. eta vs tors. theta energy: -47.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -793.377263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.377263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.377263 (E_RNA)
where:
Base-Base interactions energy: -521.265
where: short stacking energy: -227.530
Base-Backbone interact. energy: -1.077
local terms energy: -271.035192
where:
bonds (distance) C4'-P energy: -56.163
bonds (distance) P-C4' energy: -64.876
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -43.026
tors. eta vs tors. theta energy: -53.707
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: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -626.349533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.349533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.349533 (E_RNA)
where:
Base-Base interactions energy: -395.364
where: short stacking energy: -173.144
Base-Backbone interact. energy: -0.422
local terms energy: -230.563072
where:
bonds (distance) C4'-P energy: -50.967
bonds (distance) P-C4' energy: -49.828
flat angles C4'-P-C4' energy: -48.198
flat angles P-C4'-P energy: -38.083
tors. eta vs tors. theta energy: -43.487
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: 4
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -379.935237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.935237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.935237 (E_RNA)
where:
Base-Base interactions energy: -215.637
where: short stacking energy: -115.906
Base-Backbone interact. energy: -0.601
local terms energy: -163.697340
where:
bonds (distance) C4'-P energy: -43.869
bonds (distance) P-C4' energy: -46.940
flat angles C4'-P-C4' energy: -44.552
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -6.882
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: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1134.196960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.196960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.196960 (E_RNA)
where:
Base-Base interactions energy: -806.742
where: short stacking energy: -350.659
Base-Backbone interact. energy: -1.132
local terms energy: -326.322307
where:
bonds (distance) C4'-P energy: -60.073
bonds (distance) P-C4' energy: -63.296
flat angles C4'-P-C4' energy: -67.306
flat angles P-C4'-P energy: -41.353
tors. eta vs tors. theta energy: -94.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1096.586102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.586102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.586102 (E_RNA)
where:
Base-Base interactions energy: -773.751
where: short stacking energy: -336.848
Base-Backbone interact. energy: -2.320
local terms energy: -320.515148
where:
bonds (distance) C4'-P energy: -49.476
bonds (distance) P-C4' energy: -67.530
flat angles C4'-P-C4' energy: -64.324
flat angles P-C4'-P energy: -44.875
tors. eta vs tors. theta energy: -94.310
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: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1062.708670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.708670 (E_RNA)
where:
Base-Base interactions energy: -743.267
where: short stacking energy: -316.220
Base-Backbone interact. energy: 1.954
local terms energy: -321.394958
where:
bonds (distance) C4'-P energy: -61.526
bonds (distance) P-C4' energy: -52.563
flat angles C4'-P-C4' energy: -63.588
flat angles P-C4'-P energy: -50.354
tors. eta vs tors. theta energy: -93.364
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: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1020.259059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.259059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.259059 (E_RNA)
where:
Base-Base interactions energy: -716.835
where: short stacking energy: -308.264
Base-Backbone interact. energy: -0.725
local terms energy: -302.698849
where:
bonds (distance) C4'-P energy: -58.341
bonds (distance) P-C4' energy: -59.994
flat angles C4'-P-C4' energy: -61.200
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -80.837
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: 6
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -990.067144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.067144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.067144 (E_RNA)
where:
Base-Base interactions energy: -687.196
where: short stacking energy: -289.678
Base-Backbone interact. energy: 0.424
local terms energy: -303.295527
where:
bonds (distance) C4'-P energy: -50.803
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -66.403
flat angles P-C4'-P energy: -38.452
tors. eta vs tors. theta energy: -86.988
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: 291
Temperature: 1.150000
Total energy: -949.858146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.858146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.858146 (E_RNA)
where:
Base-Base interactions energy: -656.176
where: short stacking energy: -283.799
Base-Backbone interact. energy: 1.833
local terms energy: -295.514611
where:
bonds (distance) C4'-P energy: -56.817
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -62.874
flat angles P-C4'-P energy: -38.848
tors. eta vs tors. theta energy: -81.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -673.390697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.390697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.390697 (E_RNA)
where:
Base-Base interactions energy: -434.591
where: short stacking energy: -199.911
Base-Backbone interact. energy: 0.248
local terms energy: -239.047714
where:
bonds (distance) C4'-P energy: -48.563
bonds (distance) P-C4' energy: -43.174
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -37.219
tors. eta vs tors. theta energy: -46.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -775.485849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.485849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.485849 (E_RNA)
where:
Base-Base interactions energy: -532.082
where: short stacking energy: -235.859
Base-Backbone interact. energy: -0.538
local terms energy: -242.865920
where:
bonds (distance) C4'-P energy: -54.617
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -45.708
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -62.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -635.342062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.342062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.342062 (E_RNA)
where:
Base-Base interactions energy: -394.543
where: short stacking energy: -185.347
Base-Backbone interact. energy: 1.143
local terms energy: -241.941722
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -59.864
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -29.984
tors. eta vs tors. theta energy: -39.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -432.015323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.015323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.015323 (E_RNA)
where:
Base-Base interactions energy: -254.632
where: short stacking energy: -132.121
Base-Backbone interact. energy: 0.180
local terms energy: -177.563358
where:
bonds (distance) C4'-P energy: -45.480
bonds (distance) P-C4' energy: -45.715
flat angles C4'-P-C4' energy: -54.773
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: -2.106
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: 1
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1147.068675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.068675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.068675 (E_RNA)
where:
Base-Base interactions energy: -801.516
where: short stacking energy: -335.685
Base-Backbone interact. energy: -2.535
local terms energy: -343.017421
where:
bonds (distance) C4'-P energy: -71.143
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -70.134
flat angles P-C4'-P energy: -45.191
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: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1102.712307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.712307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.712307 (E_RNA)
where:
Base-Base interactions energy: -760.835
where: short stacking energy: -343.436
Base-Backbone interact. energy: -2.961
local terms energy: -338.916669
where:
bonds (distance) C4'-P energy: -61.148
bonds (distance) P-C4' energy: -64.723
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -100.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1089.901882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.901882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.901882 (E_RNA)
where:
Base-Base interactions energy: -769.797
where: short stacking energy: -322.899
Base-Backbone interact. energy: -1.646
local terms energy: -318.458681
where:
bonds (distance) C4'-P energy: -61.209
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -63.885
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -93.153
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: 4, replica: 2
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1005.325502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.325502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.325502 (E_RNA)
where:
Base-Base interactions energy: -720.602
where: short stacking energy: -316.148
Base-Backbone interact. energy: 0.255
local terms energy: -284.979098
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -57.124
flat angles C4'-P-C4' energy: -63.228
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -82.195
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: 6
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -979.257747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.257747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.257747 (E_RNA)
where:
Base-Base interactions energy: -695.860
where: short stacking energy: -293.474
Base-Backbone interact. energy: -0.951
local terms energy: -282.446451
where:
bonds (distance) C4'-P energy: -49.379
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -56.802
flat angles P-C4'-P energy: -39.760
tors. eta vs tors. theta energy: -81.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -932.415789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.415789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.415789 (E_RNA)
where:
Base-Base interactions energy: -636.669
where: short stacking energy: -275.866
Base-Backbone interact. energy: 3.406
local terms energy: -299.152553
where:
bonds (distance) C4'-P energy: -47.946
bonds (distance) P-C4' energy: -59.629
flat angles C4'-P-C4' energy: -67.943
flat angles P-C4'-P energy: -39.495
tors. eta vs tors. theta energy: -84.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -800.887276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.887276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.887276 (E_RNA)
where:
Base-Base interactions energy: -541.750
where: short stacking energy: -235.776
Base-Backbone interact. energy: 0.571
local terms energy: -259.708690
where:
bonds (distance) C4'-P energy: -45.993
bonds (distance) P-C4' energy: -50.380
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -46.404
tors. eta vs tors. theta energy: -53.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -673.082152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.082152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.082152 (E_RNA)
where:
Base-Base interactions energy: -442.193
where: short stacking energy: -223.383
Base-Backbone interact. energy: -0.888
local terms energy: -230.000813
where:
bonds (distance) C4'-P energy: -44.737
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -37.435
tors. eta vs tors. theta energy: -46.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -655.109541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.109541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.109541 (E_RNA)
where:
Base-Base interactions energy: -432.599
where: short stacking energy: -188.823
Base-Backbone interact. energy: -0.895
local terms energy: -221.615500
where:
bonds (distance) C4'-P energy: -43.242
bonds (distance) P-C4' energy: -51.972
flat angles C4'-P-C4' energy: -43.444
flat angles P-C4'-P energy: -33.035
tors. eta vs tors. theta energy: -49.923
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: 4
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -460.062926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.062926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.062926 (E_RNA)
where:
Base-Base interactions energy: -259.469
where: short stacking energy: -142.197
Base-Backbone interact. energy: -0.691
local terms energy: -199.903113
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -58.998
flat angles C4'-P-C4' energy: -47.487
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -15.805
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: 1, replica: 1
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1148.084387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.084387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.084387 (E_RNA)
where:
Base-Base interactions energy: -808.913
where: short stacking energy: -342.824
Base-Backbone interact. energy: -1.091
local terms energy: -338.081072
where:
bonds (distance) C4'-P energy: -66.849
bonds (distance) P-C4' energy: -59.009
flat angles C4'-P-C4' energy: -67.289
flat angles P-C4'-P energy: -44.896
tors. eta vs tors. theta energy: -100.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1081.340532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.340532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.340532 (E_RNA)
where:
Base-Base interactions energy: -776.886
where: short stacking energy: -334.520
Base-Backbone interact. energy: 1.705
local terms energy: -306.160053
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -55.032
flat angles C4'-P-C4' energy: -62.301
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -87.960
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: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1083.559478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.559478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.559478 (E_RNA)
where:
Base-Base interactions energy: -769.465
where: short stacking energy: -340.716
Base-Backbone interact. energy: -1.983
local terms energy: -312.111814
where:
bonds (distance) C4'-P energy: -53.872
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -91.835
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: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -998.652989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.652989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.652989 (E_RNA)
where:
Base-Base interactions energy: -685.872
where: short stacking energy: -294.320
Base-Backbone interact. energy: -1.504
local terms energy: -311.276392
where:
bonds (distance) C4'-P energy: -54.060
bonds (distance) P-C4' energy: -61.054
flat angles C4'-P-C4' energy: -70.998
flat angles P-C4'-P energy: -44.971
tors. eta vs tors. theta energy: -80.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -983.632320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.632320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.632320 (E_RNA)
where:
Base-Base interactions energy: -692.552
where: short stacking energy: -294.480
Base-Backbone interact. energy: 0.328
local terms energy: -291.407495
where:
bonds (distance) C4'-P energy: -42.539
bonds (distance) P-C4' energy: -65.545
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -41.101
tors. eta vs tors. theta energy: -80.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -945.454839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.454839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.454839 (E_RNA)
where:
Base-Base interactions energy: -652.009
where: short stacking energy: -289.421
Base-Backbone interact. energy: -1.335
local terms energy: -292.111185
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -60.757
flat angles C4'-P-C4' energy: -58.054
flat angles P-C4'-P energy: -41.111
tors. eta vs tors. theta energy: -84.292
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -829.769954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.769954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.769954 (E_RNA)
where:
Base-Base interactions energy: -563.148
where: short stacking energy: -257.493
Base-Backbone interact. energy: 0.679
local terms energy: -267.301793
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -52.580
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -43.218
tors. eta vs tors. theta energy: -65.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -633.808484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.808484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.808484 (E_RNA)
where:
Base-Base interactions energy: -436.861
where: short stacking energy: -201.476
Base-Backbone interact. energy: -1.298
local terms energy: -195.649048
where:
bonds (distance) C4'-P energy: -45.611
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -45.863
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -37.956
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -617.841984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.841984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.841984 (E_RNA)
where:
Base-Base interactions energy: -402.797
where: short stacking energy: -177.158
Base-Backbone interact. energy: -0.775
local terms energy: -214.269309
where:
bonds (distance) C4'-P energy: -48.824
bonds (distance) P-C4' energy: -47.235
flat angles C4'-P-C4' energy: -49.539
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -33.199
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: 10, replica: 4
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -505.948546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.948546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.948546 (E_RNA)
where:
Base-Base interactions energy: -304.307
where: short stacking energy: -152.006
Base-Backbone interact. energy: 3.435
local terms energy: -205.077100
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -49.783
flat angles C4'-P-C4' energy: -48.028
flat angles P-C4'-P energy: -26.856
tors. eta vs tors. theta energy: -30.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1143.809024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.809024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.809024 (E_RNA)
where:
Base-Base interactions energy: -818.057
where: short stacking energy: -333.456
Base-Backbone interact. energy: -2.608
local terms energy: -323.144432
where:
bonds (distance) C4'-P energy: -58.291
bonds (distance) P-C4' energy: -58.048
flat angles C4'-P-C4' energy: -66.208
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -99.537
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: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1071.654272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.654272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.654272 (E_RNA)
where:
Base-Base interactions energy: -753.262
where: short stacking energy: -303.579
Base-Backbone interact. energy: 0.622
local terms energy: -319.013972
where:
bonds (distance) C4'-P energy: -55.862
bonds (distance) P-C4' energy: -67.248
flat angles C4'-P-C4' energy: -67.322
flat angles P-C4'-P energy: -41.237
tors. eta vs tors. theta energy: -87.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1058.939009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.939009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.939009 (E_RNA)
where:
Base-Base interactions energy: -740.245
where: short stacking energy: -308.637
Base-Backbone interact. energy: -0.157
local terms energy: -318.537234
where:
bonds (distance) C4'-P energy: -64.638
bonds (distance) P-C4' energy: -59.129
flat angles C4'-P-C4' energy: -67.013
flat angles P-C4'-P energy: -46.585
tors. eta vs tors. theta energy: -81.173
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: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1021.626496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.626496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.626496 (E_RNA)
where:
Base-Base interactions energy: -701.603
where: short stacking energy: -316.581
Base-Backbone interact. energy: -0.119
local terms energy: -319.904383
where:
bonds (distance) C4'-P energy: -60.266
bonds (distance) P-C4' energy: -55.752
flat angles C4'-P-C4' energy: -64.829
flat angles P-C4'-P energy: -45.840
tors. eta vs tors. theta energy: -93.218
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: 294
Temperature: 1.100000
Total energy: -987.187162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.187162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.187162 (E_RNA)
where:
Base-Base interactions energy: -682.093
where: short stacking energy: -297.596
Base-Backbone interact. energy: -0.223
local terms energy: -304.871801
where:
bonds (distance) C4'-P energy: -50.932
bonds (distance) P-C4' energy: -56.915
flat angles C4'-P-C4' energy: -64.951
flat angles P-C4'-P energy: -52.431
tors. eta vs tors. theta energy: -79.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -938.232457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.232457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.232457 (E_RNA)
where:
Base-Base interactions energy: -653.539
where: short stacking energy: -279.018
Base-Backbone interact. energy: -1.529
local terms energy: -283.164203
where:
bonds (distance) C4'-P energy: -54.621
bonds (distance) P-C4' energy: -58.570
flat angles C4'-P-C4' energy: -60.487
flat angles P-C4'-P energy: -33.252
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: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -846.927870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.927870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.927870 (E_RNA)
where:
Base-Base interactions energy: -582.289
where: short stacking energy: -257.736
Base-Backbone interact. energy: -0.807
local terms energy: -263.831840
where:
bonds (distance) C4'-P energy: -42.672
bonds (distance) P-C4' energy: -48.432
flat angles C4'-P-C4' energy: -58.810
flat angles P-C4'-P energy: -47.095
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: 8
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -636.572633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.572633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.572633 (E_RNA)
where:
Base-Base interactions energy: -413.892
where: short stacking energy: -202.376
Base-Backbone interact. energy: 5.456
local terms energy: -228.136375
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -48.596
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -43.668
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: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -641.882910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.882910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.882910 (E_RNA)
where:
Base-Base interactions energy: -402.602
where: short stacking energy: -199.907
Base-Backbone interact. energy: -0.417
local terms energy: -238.863252
where:
bonds (distance) C4'-P energy: -49.545
bonds (distance) P-C4' energy: -45.299
flat angles C4'-P-C4' energy: -52.871
flat angles P-C4'-P energy: -36.014
tors. eta vs tors. theta energy: -55.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -468.566214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.566214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.566214 (E_RNA)
where:
Base-Base interactions energy: -272.721
where: short stacking energy: -115.635
Base-Backbone interact. energy: -3.233
local terms energy: -192.612420
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -43.316
flat angles P-C4'-P energy: -29.529
tors. eta vs tors. theta energy: -9.527
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: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1132.608063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.608063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.608063 (E_RNA)
where:
Base-Base interactions energy: -798.020
where: short stacking energy: -330.879
Base-Backbone interact. energy: -1.427
local terms energy: -333.161092
where:
bonds (distance) C4'-P energy: -58.088
bonds (distance) P-C4' energy: -66.654
flat angles C4'-P-C4' energy: -75.728
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: -94.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1070.923408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.923408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.923408 (E_RNA)
where:
Base-Base interactions energy: -748.037
where: short stacking energy: -316.034
Base-Backbone interact. energy: -0.449
local terms energy: -322.437199
where:
bonds (distance) C4'-P energy: -63.296
bonds (distance) P-C4' energy: -64.071
flat angles C4'-P-C4' energy: -66.849
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -82.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -1074.185974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.185974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.185974 (E_RNA)
where:
Base-Base interactions energy: -752.813
where: short stacking energy: -324.345
Base-Backbone interact. energy: -1.823
local terms energy: -319.549921
where:
bonds (distance) C4'-P energy: -57.642
bonds (distance) P-C4' energy: -62.272
flat angles C4'-P-C4' energy: -62.459
flat angles P-C4'-P energy: -47.537
tors. eta vs tors. theta energy: -89.640
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: 295
Temperature: 1.050000
Total energy: -1008.024144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.024144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.024144 (E_RNA)
where:
Base-Base interactions energy: -687.972
where: short stacking energy: -286.808
Base-Backbone interact. energy: -0.669
local terms energy: -319.382406
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -75.075
flat angles P-C4'-P energy: -43.582
tors. eta vs tors. theta energy: -82.557
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: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -993.449244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.449244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.449244 (E_RNA)
where:
Base-Base interactions energy: -693.527
where: short stacking energy: -305.452
Base-Backbone interact. energy: 2.007
local terms energy: -301.928505
where:
bonds (distance) C4'-P energy: -54.698
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -67.630
flat angles P-C4'-P energy: -38.050
tors. eta vs tors. theta energy: -83.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -944.161234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.161234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.161234 (E_RNA)
where:
Base-Base interactions energy: -644.425
where: short stacking energy: -264.160
Base-Backbone interact. energy: -0.943
local terms energy: -298.792728
where:
bonds (distance) C4'-P energy: -52.079
bonds (distance) P-C4' energy: -55.676
flat angles C4'-P-C4' energy: -67.333
flat angles P-C4'-P energy: -45.213
tors. eta vs tors. theta energy: -78.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -854.162223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.162223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.162223 (E_RNA)
where:
Base-Base interactions energy: -589.172
where: short stacking energy: -261.595
Base-Backbone interact. energy: 2.350
local terms energy: -267.339932
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -54.821
flat angles C4'-P-C4' energy: -60.543
flat angles P-C4'-P energy: -34.948
tors. eta vs tors. theta energy: -69.195
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: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -648.281419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.281419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.281419 (E_RNA)
where:
Base-Base interactions energy: -409.700
where: short stacking energy: -180.747
Base-Backbone interact. energy: -0.768
local terms energy: -237.813534
where:
bonds (distance) C4'-P energy: -61.832
bonds (distance) P-C4' energy: -49.130
flat angles C4'-P-C4' energy: -47.835
flat angles P-C4'-P energy: -41.413
tors. eta vs tors. theta energy: -37.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -605.784105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.784105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.784105 (E_RNA)
where:
Base-Base interactions energy: -387.680
where: short stacking energy: -174.581
Base-Backbone interact. energy: -2.565
local terms energy: -215.539898
where:
bonds (distance) C4'-P energy: -55.777
bonds (distance) P-C4' energy: -45.227
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -23.565
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: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -492.591566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.591566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.591566 (E_RNA)
where:
Base-Base interactions energy: -282.366
where: short stacking energy: -129.257
Base-Backbone interact. energy: -0.336
local terms energy: -209.889687
where:
bonds (distance) C4'-P energy: -54.201
bonds (distance) P-C4' energy: -59.744
flat angles C4'-P-C4' energy: -52.133
flat angles P-C4'-P energy: -36.369
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1133.426282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.426282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.426282 (E_RNA)
where:
Base-Base interactions energy: -798.958
where: short stacking energy: -334.155
Base-Backbone interact. energy: -1.792
local terms energy: -332.676285
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -64.454
flat angles C4'-P-C4' energy: -72.739
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -95.715
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1088.319096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.319096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.319096 (E_RNA)
where:
Base-Base interactions energy: -774.140
where: short stacking energy: -316.281
Base-Backbone interact. energy: -2.458
local terms energy: -311.721146
where:
bonds (distance) C4'-P energy: -59.139
bonds (distance) P-C4' energy: -62.958
flat angles C4'-P-C4' energy: -68.116
flat angles P-C4'-P energy: -33.323
tors. eta vs tors. theta energy: -88.186
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: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1066.561616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.561616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.561616 (E_RNA)
where:
Base-Base interactions energy: -740.382
where: short stacking energy: -318.523
Base-Backbone interact. energy: -1.917
local terms energy: -324.262344
where:
bonds (distance) C4'-P energy: -60.994
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -66.998
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -83.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1005.233664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.233664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.233664 (E_RNA)
where:
Base-Base interactions energy: -702.092
where: short stacking energy: -275.515
Base-Backbone interact. energy: -0.987
local terms energy: -302.154636
where:
bonds (distance) C4'-P energy: -54.020
bonds (distance) P-C4' energy: -47.184
flat angles C4'-P-C4' energy: -67.256
flat angles P-C4'-P energy: -49.271
tors. eta vs tors. theta energy: -84.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -995.780038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.780038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.780038 (E_RNA)
where:
Base-Base interactions energy: -685.577
where: short stacking energy: -312.380
Base-Backbone interact. energy: -0.716
local terms energy: -309.487326
where:
bonds (distance) C4'-P energy: -59.879
bonds (distance) P-C4' energy: -58.832
flat angles C4'-P-C4' energy: -67.074
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -82.099
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: 296
Temperature: 1.150000
Total energy: -948.061360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.061360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.061360 (E_RNA)
where:
Base-Base interactions energy: -664.293
where: short stacking energy: -305.179
Base-Backbone interact. energy: -1.681
local terms energy: -282.086480
where:
bonds (distance) C4'-P energy: -46.499
bonds (distance) P-C4' energy: -49.642
flat angles C4'-P-C4' energy: -63.707
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -87.693
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: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -860.922864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.922864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.922864 (E_RNA)
where:
Base-Base interactions energy: -591.463
where: short stacking energy: -252.130
Base-Backbone interact. energy: -1.572
local terms energy: -267.887550
where:
bonds (distance) C4'-P energy: -52.655
bonds (distance) P-C4' energy: -56.485
flat angles C4'-P-C4' energy: -57.486
flat angles P-C4'-P energy: -37.283
tors. eta vs tors. theta energy: -63.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -624.637386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.637386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.637386 (E_RNA)
where:
Base-Base interactions energy: -402.407
where: short stacking energy: -163.995
Base-Backbone interact. energy: 0.857
local terms energy: -223.088110
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -55.789
flat angles C4'-P-C4' energy: -54.969
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -638.475173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.475173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.475173 (E_RNA)
where:
Base-Base interactions energy: -411.669
where: short stacking energy: -179.118
Base-Backbone interact. energy: 3.498
local terms energy: -230.304166
where:
bonds (distance) C4'-P energy: -46.587
bonds (distance) P-C4' energy: -51.256
flat angles C4'-P-C4' energy: -57.403
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -37.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -470.509228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.509228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.509228 (E_RNA)
where:
Base-Base interactions energy: -269.338
where: short stacking energy: -127.186
Base-Backbone interact. energy: -0.883
local terms energy: -200.288571
where:
bonds (distance) C4'-P energy: -57.378
bonds (distance) P-C4' energy: -49.005
flat angles C4'-P-C4' energy: -61.433
flat angles P-C4'-P energy: -31.914
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: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1152.919268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.919268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.919268 (E_RNA)
where:
Base-Base interactions energy: -815.060
where: short stacking energy: -348.121
Base-Backbone interact. energy: -3.199
local terms energy: -334.659586
where:
bonds (distance) C4'-P energy: -69.060
bonds (distance) P-C4' energy: -54.487
flat angles C4'-P-C4' energy: -66.726
flat angles P-C4'-P energy: -47.826
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: 2, replica: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1067.223533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.223533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.223533 (E_RNA)
where:
Base-Base interactions energy: -756.453
where: short stacking energy: -318.272
Base-Backbone interact. energy: 0.836
local terms energy: -311.606954
where:
bonds (distance) C4'-P energy: -59.296
bonds (distance) P-C4' energy: -59.901
flat angles C4'-P-C4' energy: -57.259
flat angles P-C4'-P energy: -49.455
tors. eta vs tors. theta energy: -85.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1060.072927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.072927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.072927 (E_RNA)
where:
Base-Base interactions energy: -747.475
where: short stacking energy: -316.955
Base-Backbone interact. energy: -1.528
local terms energy: -311.069733
where:
bonds (distance) C4'-P energy: -62.661
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -67.008
flat angles P-C4'-P energy: -38.015
tors. eta vs tors. theta energy: -89.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1007.022535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.022535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.022535 (E_RNA)
where:
Base-Base interactions energy: -692.953
where: short stacking energy: -306.097
Base-Backbone interact. energy: -2.004
local terms energy: -312.065558
where:
bonds (distance) C4'-P energy: -58.811
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -43.325
tors. eta vs tors. theta energy: -88.875
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: 5, replica: 6
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -991.596682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.596682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.596682 (E_RNA)
where:
Base-Base interactions energy: -713.017
where: short stacking energy: -316.913
Base-Backbone interact. energy: -0.805
local terms energy: -277.774887
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -58.139
flat angles C4'-P-C4' energy: -50.281
flat angles P-C4'-P energy: -41.520
tors. eta vs tors. theta energy: -86.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -936.733147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.733147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.733147 (E_RNA)
where:
Base-Base interactions energy: -659.025
where: short stacking energy: -284.317
Base-Backbone interact. energy: -1.705
local terms energy: -276.003258
where:
bonds (distance) C4'-P energy: -47.892
bonds (distance) P-C4' energy: -50.824
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -37.564
tors. eta vs tors. theta energy: -75.768
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: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -866.710281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.710281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.710281 (E_RNA)
where:
Base-Base interactions energy: -588.121
where: short stacking energy: -267.877
Base-Backbone interact. energy: 1.308
local terms energy: -279.898085
where:
bonds (distance) C4'-P energy: -51.596
bonds (distance) P-C4' energy: -53.597
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -48.109
tors. eta vs tors. theta energy: -60.538
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: 8
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -648.358506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.358506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.358506 (E_RNA)
where:
Base-Base interactions energy: -427.849
where: short stacking energy: -189.847
Base-Backbone interact. energy: 1.768
local terms energy: -222.276904
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -38.927
flat angles C4'-P-C4' energy: -59.236
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -34.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -632.966475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.966475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.966475 (E_RNA)
where:
Base-Base interactions energy: -399.070
where: short stacking energy: -196.442
Base-Backbone interact. energy: 0.550
local terms energy: -234.446747
where:
bonds (distance) C4'-P energy: -49.827
bonds (distance) P-C4' energy: -52.966
flat angles C4'-P-C4' energy: -52.873
flat angles P-C4'-P energy: -37.529
tors. eta vs tors. theta energy: -41.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -441.581370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.581370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.581370 (E_RNA)
where:
Base-Base interactions energy: -266.772
where: short stacking energy: -133.054
Base-Backbone interact. energy: 0.865
local terms energy: -175.674357
where:
bonds (distance) C4'-P energy: -41.626
bonds (distance) P-C4' energy: -38.075
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -28.752
tors. eta vs tors. theta energy: -8.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1159.911988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.911988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.911988 (E_RNA)
where:
Base-Base interactions energy: -823.243
where: short stacking energy: -351.802
Base-Backbone interact. energy: -3.283
local terms energy: -333.386441
where:
bonds (distance) C4'-P energy: -60.702
bonds (distance) P-C4' energy: -60.251
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -47.416
tors. eta vs tors. theta energy: -95.606
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: 10
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1078.439303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.439303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.439303 (E_RNA)
where:
Base-Base interactions energy: -769.407
where: short stacking energy: -299.366
Base-Backbone interact. energy: 4.195
local terms energy: -313.226496
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -69.338
flat angles P-C4'-P energy: -49.763
tors. eta vs tors. theta energy: -85.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1066.391629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.391629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.391629 (E_RNA)
where:
Base-Base interactions energy: -732.106
where: short stacking energy: -320.359
Base-Backbone interact. energy: 0.400
local terms energy: -334.685125
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -64.884
flat angles C4'-P-C4' energy: -64.726
flat angles P-C4'-P energy: -49.230
tors. eta vs tors. theta energy: -93.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1024.347448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.347448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.347448 (E_RNA)
where:
Base-Base interactions energy: -718.380
where: short stacking energy: -297.638
Base-Backbone interact. energy: -1.274
local terms energy: -304.693434
where:
bonds (distance) C4'-P energy: -52.930
bonds (distance) P-C4' energy: -53.829
flat angles C4'-P-C4' energy: -64.883
flat angles P-C4'-P energy: -43.187
tors. eta vs tors. theta energy: -89.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -971.417333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.417333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.417333 (E_RNA)
where:
Base-Base interactions energy: -703.460
where: short stacking energy: -310.447
Base-Backbone interact. energy: 3.006
local terms energy: -270.962609
where:
bonds (distance) C4'-P energy: -42.758
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -66.207
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -76.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -939.298076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.298076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.298076 (E_RNA)
where:
Base-Base interactions energy: -640.272
where: short stacking energy: -280.843
Base-Backbone interact. energy: -0.048
local terms energy: -298.977424
where:
bonds (distance) C4'-P energy: -55.209
bonds (distance) P-C4' energy: -45.815
flat angles C4'-P-C4' energy: -71.908
flat angles P-C4'-P energy: -40.267
tors. eta vs tors. theta energy: -85.778
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: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -864.304504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.304504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.304504 (E_RNA)
where:
Base-Base interactions energy: -591.431
where: short stacking energy: -258.246
Base-Backbone interact. energy: -2.640
local terms energy: -270.233851
where:
bonds (distance) C4'-P energy: -44.214
bonds (distance) P-C4' energy: -58.680
flat angles C4'-P-C4' energy: -53.135
flat angles P-C4'-P energy: -35.363
tors. eta vs tors. theta energy: -78.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -665.578060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.578060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.578060 (E_RNA)
where:
Base-Base interactions energy: -442.300
where: short stacking energy: -183.946
Base-Backbone interact. energy: -2.567
local terms energy: -220.711078
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -47.573
flat angles C4'-P-C4' energy: -48.310
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -38.030
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: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -643.244377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.244377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.244377 (E_RNA)
where:
Base-Base interactions energy: -408.025
where: short stacking energy: -201.509
Base-Backbone interact. energy: -1.131
local terms energy: -234.088536
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -60.898
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -33.179
tors. eta vs tors. theta energy: -39.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -480.042396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.042396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.042396 (E_RNA)
where:
Base-Base interactions energy: -300.275
where: short stacking energy: -142.746
Base-Backbone interact. energy: 0.350
local terms energy: -180.117620
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -49.301
flat angles C4'-P-C4' energy: -43.824
flat angles P-C4'-P energy: -20.459
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: 1
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1150.640215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.640215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.640215 (E_RNA)
where:
Base-Base interactions energy: -811.226
where: short stacking energy: -327.660
Base-Backbone interact. energy: -1.972
local terms energy: -337.442973
where:
bonds (distance) C4'-P energy: -59.615
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -69.618
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: -94.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1095.398687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.398687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.398687 (E_RNA)
where:
Base-Base interactions energy: -773.072
where: short stacking energy: -335.397
Base-Backbone interact. energy: -1.451
local terms energy: -320.875821
where:
bonds (distance) C4'-P energy: -59.684
bonds (distance) P-C4' energy: -57.751
flat angles C4'-P-C4' energy: -60.409
flat angles P-C4'-P energy: -51.829
tors. eta vs tors. theta energy: -91.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1059.943421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.943421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.943421 (E_RNA)
where:
Base-Base interactions energy: -739.751
where: short stacking energy: -313.993
Base-Backbone interact. energy: -1.347
local terms energy: -318.846003
where:
bonds (distance) C4'-P energy: -52.810
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -44.063
tors. eta vs tors. theta energy: -91.888
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: 6
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1048.699718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.699718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.699718 (E_RNA)
where:
Base-Base interactions energy: -717.487
where: short stacking energy: -314.725
Base-Backbone interact. energy: -1.052
local terms energy: -330.160643
where:
bonds (distance) C4'-P energy: -64.107
bonds (distance) P-C4' energy: -62.980
flat angles C4'-P-C4' energy: -66.203
flat angles P-C4'-P energy: -42.501
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: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -977.999891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.999891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.999891 (E_RNA)
where:
Base-Base interactions energy: -699.058
where: short stacking energy: -282.582
Base-Backbone interact. energy: -0.215
local terms energy: -278.726538
where:
bonds (distance) C4'-P energy: -55.956
bonds (distance) P-C4' energy: -43.379
flat angles C4'-P-C4' energy: -64.641
flat angles P-C4'-P energy: -44.230
tors. eta vs tors. theta energy: -70.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -948.320507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.320507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.320507 (E_RNA)
where:
Base-Base interactions energy: -671.334
where: short stacking energy: -266.478
Base-Backbone interact. energy: -1.314
local terms energy: -275.672421
where:
bonds (distance) C4'-P energy: -44.545
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -60.104
flat angles P-C4'-P energy: -45.191
tors. eta vs tors. theta energy: -65.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -860.393636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.393636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.393636 (E_RNA)
where:
Base-Base interactions energy: -594.068
where: short stacking energy: -267.353
Base-Backbone interact. energy: 3.164
local terms energy: -269.489527
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -60.158
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -35.679
tors. eta vs tors. theta energy: -61.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -632.311446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.311446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.311446 (E_RNA)
where:
Base-Base interactions energy: -410.129
where: short stacking energy: -158.904
Base-Backbone interact. energy: 2.029
local terms energy: -224.211452
where:
bonds (distance) C4'-P energy: -54.388
bonds (distance) P-C4' energy: -50.857
flat angles C4'-P-C4' energy: -51.479
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -31.459
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: 8
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -626.640795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.640795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.640795 (E_RNA)
where:
Base-Base interactions energy: -421.300
where: short stacking energy: -166.107
Base-Backbone interact. energy: 2.257
local terms energy: -207.597823
where:
bonds (distance) C4'-P energy: -45.806
bonds (distance) P-C4' energy: -46.324
flat angles C4'-P-C4' energy: -51.223
flat angles P-C4'-P energy: -33.840
tors. eta vs tors. theta energy: -30.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -440.381077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.381077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.381077 (E_RNA)
where:
Base-Base interactions energy: -278.488
where: short stacking energy: -139.306
Base-Backbone interact. energy: 1.032
local terms energy: -162.924491
where:
bonds (distance) C4'-P energy: -45.021
bonds (distance) P-C4' energy: -37.635
flat angles C4'-P-C4' energy: -42.222
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -8.619
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: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1135.679848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.679848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.679848 (E_RNA)
where:
Base-Base interactions energy: -801.648
where: short stacking energy: -332.280
Base-Backbone interact. energy: -0.579
local terms energy: -333.453091
where:
bonds (distance) C4'-P energy: -61.824
bonds (distance) P-C4' energy: -65.087
flat angles C4'-P-C4' energy: -65.005
flat angles P-C4'-P energy: -45.010
tors. eta vs tors. theta energy: -96.527
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: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1091.192123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.192123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.192123 (E_RNA)
where:
Base-Base interactions energy: -773.321
where: short stacking energy: -331.335
Base-Backbone interact. energy: -0.729
local terms energy: -317.141846
where:
bonds (distance) C4'-P energy: -50.505
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -68.120
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: -89.013
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: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1052.820800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.820800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.820800 (E_RNA)
where:
Base-Base interactions energy: -728.226
where: short stacking energy: -307.686
Base-Backbone interact. energy: -1.996
local terms energy: -322.599008
where:
bonds (distance) C4'-P energy: -59.159
bonds (distance) P-C4' energy: -70.960
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -91.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1017.315274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.315274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.315274 (E_RNA)
where:
Base-Base interactions energy: -718.223
where: short stacking energy: -295.514
Base-Backbone interact. energy: -3.947
local terms energy: -295.144497
where:
bonds (distance) C4'-P energy: -53.111
bonds (distance) P-C4' energy: -64.387
flat angles C4'-P-C4' energy: -63.475
flat angles P-C4'-P energy: -38.409
tors. eta vs tors. theta energy: -75.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -995.349129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.349129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.349129 (E_RNA)
where:
Base-Base interactions energy: -690.402
where: short stacking energy: -290.095
Base-Backbone interact. energy: -0.786
local terms energy: -304.161027
where:
bonds (distance) C4'-P energy: -54.134
bonds (distance) P-C4' energy: -60.002
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -85.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -933.817668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.817668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.817668 (E_RNA)
where:
Base-Base interactions energy: -662.344
where: short stacking energy: -278.003
Base-Backbone interact. energy: 0.225
local terms energy: -271.699334
where:
bonds (distance) C4'-P energy: -42.596
bonds (distance) P-C4' energy: -44.107
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -45.181
tors. eta vs tors. theta energy: -75.613
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: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -862.673583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.673583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.673583 (E_RNA)
where:
Base-Base interactions energy: -607.298
where: short stacking energy: -279.165
Base-Backbone interact. energy: -1.080
local terms energy: -254.294901
where:
bonds (distance) C4'-P energy: -50.626
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -75.310
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: 7
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -677.078315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.078315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.078315 (E_RNA)
where:
Base-Base interactions energy: -426.600
where: short stacking energy: -208.486
Base-Backbone interact. energy: -1.638
local terms energy: -248.840797
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -55.420
flat angles C4'-P-C4' energy: -58.306
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -44.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -632.796309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.796309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.796309 (E_RNA)
where:
Base-Base interactions energy: -413.243
where: short stacking energy: -179.748
Base-Backbone interact. energy: 0.842
local terms energy: -220.396256
where:
bonds (distance) C4'-P energy: -47.175
bonds (distance) P-C4' energy: -48.038
flat angles C4'-P-C4' energy: -52.979
flat angles P-C4'-P energy: -32.406
tors. eta vs tors. theta energy: -39.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -423.039541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.039541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.039541 (E_RNA)
where:
Base-Base interactions energy: -243.477
where: short stacking energy: -131.344
Base-Backbone interact. energy: -1.083
local terms energy: -178.478925
where:
bonds (distance) C4'-P energy: -43.477
bonds (distance) P-C4' energy: -50.199
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1136.427359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.427359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.427359 (E_RNA)
where:
Base-Base interactions energy: -802.291
where: short stacking energy: -319.883
Base-Backbone interact. energy: -2.271
local terms energy: -331.865615
where:
bonds (distance) C4'-P energy: -66.082
bonds (distance) P-C4' energy: -66.189
flat angles C4'-P-C4' energy: -67.567
flat angles P-C4'-P energy: -42.121
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: 2, replica: 3
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1118.009764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.009764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.009764 (E_RNA)
where:
Base-Base interactions energy: -797.072
where: short stacking energy: -337.208
Base-Backbone interact. energy: -0.705
local terms energy: -320.232413
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -63.099
flat angles C4'-P-C4' energy: -70.089
flat angles P-C4'-P energy: -44.893
tors. eta vs tors. theta energy: -88.534
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: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1056.344027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.344027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.344027 (E_RNA)
where:
Base-Base interactions energy: -728.236
where: short stacking energy: -316.002
Base-Backbone interact. energy: -1.871
local terms energy: -326.237184
where:
bonds (distance) C4'-P energy: -62.908
bonds (distance) P-C4' energy: -52.811
flat angles C4'-P-C4' energy: -72.322
flat angles P-C4'-P energy: -43.214
tors. eta vs tors. theta energy: -94.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1058.976547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.976547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.976547 (E_RNA)
where:
Base-Base interactions energy: -751.352
where: short stacking energy: -319.592
Base-Backbone interact. energy: -0.808
local terms energy: -306.816142
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -54.435
flat angles C4'-P-C4' energy: -66.212
flat angles P-C4'-P energy: -44.514
tors. eta vs tors. theta energy: -95.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1032.968017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.968017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.968017 (E_RNA)
where:
Base-Base interactions energy: -725.072
where: short stacking energy: -300.841
Base-Backbone interact. energy: -1.037
local terms energy: -306.858321
where:
bonds (distance) C4'-P energy: -56.309
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -60.401
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -85.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -942.154242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.154242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.154242 (E_RNA)
where:
Base-Base interactions energy: -653.330
where: short stacking energy: -291.410
Base-Backbone interact. energy: -0.635
local terms energy: -288.189405
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -55.883
flat angles C4'-P-C4' energy: -59.579
flat angles P-C4'-P energy: -40.957
tors. eta vs tors. theta energy: -77.089
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: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -860.998357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.998357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.998357 (E_RNA)
where:
Base-Base interactions energy: -596.804
where: short stacking energy: -261.398
Base-Backbone interact. energy: -1.618
local terms energy: -262.575909
where:
bonds (distance) C4'-P energy: -54.216
bonds (distance) P-C4' energy: -53.285
flat angles C4'-P-C4' energy: -56.429
flat angles P-C4'-P energy: -30.879
tors. eta vs tors. theta energy: -67.767
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: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -662.129938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.129938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.129938 (E_RNA)
where:
Base-Base interactions energy: -430.296
where: short stacking energy: -193.596
Base-Backbone interact. energy: -0.457
local terms energy: -231.377200
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -54.242
flat angles C4'-P-C4' energy: -54.996
flat angles P-C4'-P energy: -38.804
tors. eta vs tors. theta energy: -40.629
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: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -635.447187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.447187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.447187 (E_RNA)
where:
Base-Base interactions energy: -407.872
where: short stacking energy: -187.479
Base-Backbone interact. energy: 0.448
local terms energy: -228.023033
where:
bonds (distance) C4'-P energy: -45.158
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -59.456
flat angles P-C4'-P energy: -33.046
tors. eta vs tors. theta energy: -41.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -406.482230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.482230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.482230 (E_RNA)
where:
Base-Base interactions energy: -219.434
where: short stacking energy: -137.969
Base-Backbone interact. energy: 2.088
local terms energy: -189.135485
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -51.134
flat angles C4'-P-C4' energy: -41.409
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -10.568
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: 1, replica: 1
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1142.192721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.192721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.192721 (E_RNA)
where:
Base-Base interactions energy: -826.934
where: short stacking energy: -345.830
Base-Backbone interact. energy: 0.064
local terms energy: -315.322538
where:
bonds (distance) C4'-P energy: -60.923
bonds (distance) P-C4' energy: -57.117
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -92.455
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: 302
Temperature: 0.950000
Total energy: -1109.871563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.871563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.871563 (E_RNA)
where:
Base-Base interactions energy: -788.356
where: short stacking energy: -336.908
Base-Backbone interact. energy: 0.080
local terms energy: -321.595807
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -64.668
flat angles C4'-P-C4' energy: -70.108
flat angles P-C4'-P energy: -51.191
tors. eta vs tors. theta energy: -89.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1074.661261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.661261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.661261 (E_RNA)
where:
Base-Base interactions energy: -771.614
where: short stacking energy: -326.859
Base-Backbone interact. energy: -0.914
local terms energy: -302.133626
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -60.451
flat angles C4'-P-C4' energy: -64.819
flat angles P-C4'-P energy: -35.118
tors. eta vs tors. theta energy: -87.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1016.842182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.842182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.842182 (E_RNA)
where:
Base-Base interactions energy: -718.450
where: short stacking energy: -293.956
Base-Backbone interact. energy: -0.980
local terms energy: -297.411560
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -58.038
flat angles C4'-P-C4' energy: -62.841
flat angles P-C4'-P energy: -39.598
tors. eta vs tors. theta energy: -86.804
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: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1019.234942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.234942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.234942 (E_RNA)
where:
Base-Base interactions energy: -726.296
where: short stacking energy: -291.622
Base-Backbone interact. energy: -1.394
local terms energy: -291.545821
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -46.408
flat angles C4'-P-C4' energy: -63.448
flat angles P-C4'-P energy: -44.166
tors. eta vs tors. theta energy: -81.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -904.829757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.829757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.829757 (E_RNA)
where:
Base-Base interactions energy: -617.204
where: short stacking energy: -254.268
Base-Backbone interact. energy: -0.647
local terms energy: -286.979071
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -61.775
flat angles C4'-P-C4' energy: -52.025
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -74.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -861.544331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.544331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.544331 (E_RNA)
where:
Base-Base interactions energy: -599.238
where: short stacking energy: -277.610
Base-Backbone interact. energy: -0.135
local terms energy: -262.170974
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -39.488
flat angles C4'-P-C4' energy: -58.887
flat angles P-C4'-P energy: -38.845
tors. eta vs tors. theta energy: -76.321
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: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -615.938205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.938205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.938205 (E_RNA)
where:
Base-Base interactions energy: -383.948
where: short stacking energy: -170.408
Base-Backbone interact. energy: -1.324
local terms energy: -230.665852
where:
bonds (distance) C4'-P energy: -64.828
bonds (distance) P-C4' energy: -40.683
flat angles C4'-P-C4' energy: -56.749
flat angles P-C4'-P energy: -29.652
tors. eta vs tors. theta energy: -38.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -589.119805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.119805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.119805 (E_RNA)
where:
Base-Base interactions energy: -374.563
where: short stacking energy: -170.604
Base-Backbone interact. energy: -1.741
local terms energy: -212.815636
where:
bonds (distance) C4'-P energy: -47.190
bonds (distance) P-C4' energy: -63.529
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -18.525
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -411.750511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.750511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.750511 (E_RNA)
where:
Base-Base interactions energy: -233.491
where: short stacking energy: -125.229
Base-Backbone interact. energy: -0.816
local terms energy: -177.443271
where:
bonds (distance) C4'-P energy: -57.763
bonds (distance) P-C4' energy: -41.804
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -27.466
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1136.372492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.372492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.372492 (E_RNA)
where:
Base-Base interactions energy: -815.147
where: short stacking energy: -336.028
Base-Backbone interact. energy: -1.989
local terms energy: -319.237047
where:
bonds (distance) C4'-P energy: -63.695
bonds (distance) P-C4' energy: -53.579
flat angles C4'-P-C4' energy: -65.666
flat angles P-C4'-P energy: -45.049
tors. eta vs tors. theta energy: -91.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1083.241614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.241614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.241614 (E_RNA)
where:
Base-Base interactions energy: -774.656
where: short stacking energy: -336.169
Base-Backbone interact. energy: 1.792
local terms energy: -310.377450
where:
bonds (distance) C4'-P energy: -57.110
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -67.495
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -93.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1075.202730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.202730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.202730 (E_RNA)
where:
Base-Base interactions energy: -768.008
where: short stacking energy: -328.345
Base-Backbone interact. energy: -0.716
local terms energy: -306.479086
where:
bonds (distance) C4'-P energy: -61.064
bonds (distance) P-C4' energy: -49.040
flat angles C4'-P-C4' energy: -66.245
flat angles P-C4'-P energy: -39.252
tors. eta vs tors. theta energy: -90.878
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: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1038.143975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.143975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.143975 (E_RNA)
where:
Base-Base interactions energy: -717.032
where: short stacking energy: -318.533
Base-Backbone interact. energy: -0.217
local terms energy: -320.894852
where:
bonds (distance) C4'-P energy: -64.400
bonds (distance) P-C4' energy: -50.016
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -47.592
tors. eta vs tors. theta energy: -90.999
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: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1017.138096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.138096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.138096 (E_RNA)
where:
Base-Base interactions energy: -727.639
where: short stacking energy: -291.899
Base-Backbone interact. energy: -0.720
local terms energy: -288.779509
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -62.867
flat angles P-C4'-P energy: -35.937
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: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -879.338371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.338371 (E_RNA)
where:
Base-Base interactions energy: -590.388
where: short stacking energy: -262.860
Base-Backbone interact. energy: -0.655
local terms energy: -288.295188
where:
bonds (distance) C4'-P energy: -66.858
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -45.017
tors. eta vs tors. theta energy: -67.332
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: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -884.909674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.909674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.909674 (E_RNA)
where:
Base-Base interactions energy: -595.314
where: short stacking energy: -265.101
Base-Backbone interact. energy: -1.073
local terms energy: -288.522133
where:
bonds (distance) C4'-P energy: -54.616
bonds (distance) P-C4' energy: -48.818
flat angles C4'-P-C4' energy: -62.554
flat angles P-C4'-P energy: -44.481
tors. eta vs tors. theta energy: -78.053
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: 8, replica: 8
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -667.704735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.704735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.704735 (E_RNA)
where:
Base-Base interactions energy: -427.850
where: short stacking energy: -208.124
Base-Backbone interact. energy: -1.342
local terms energy: -238.513149
where:
bonds (distance) C4'-P energy: -51.380
bonds (distance) P-C4' energy: -60.145
flat angles C4'-P-C4' energy: -51.503
flat angles P-C4'-P energy: -29.801
tors. eta vs tors. theta energy: -45.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -595.160144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.160144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.160144 (E_RNA)
where:
Base-Base interactions energy: -376.553
where: short stacking energy: -175.526
Base-Backbone interact. energy: -0.926
local terms energy: -217.680534
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -45.454
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -25.550
tors. eta vs tors. theta energy: -38.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -416.833291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.833291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.833291 (E_RNA)
where:
Base-Base interactions energy: -225.306
where: short stacking energy: -112.965
Base-Backbone interact. energy: 2.810
local terms energy: -194.337357
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -47.521
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: -9.911
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: 1
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1142.287877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.287877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.287877 (E_RNA)
where:
Base-Base interactions energy: -812.553
where: short stacking energy: -340.013
Base-Backbone interact. energy: -2.010
local terms energy: -327.725575
where:
bonds (distance) C4'-P energy: -64.292
bonds (distance) P-C4' energy: -61.436
flat angles C4'-P-C4' energy: -62.827
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -98.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1078.846965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.846965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.846965 (E_RNA)
where:
Base-Base interactions energy: -759.300
where: short stacking energy: -330.579
Base-Backbone interact. energy: -1.859
local terms energy: -317.688428
where:
bonds (distance) C4'-P energy: -52.185
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -66.339
flat angles P-C4'-P energy: -42.446
tors. eta vs tors. theta energy: -97.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1056.073592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.073592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.073592 (E_RNA)
where:
Base-Base interactions energy: -739.743
where: short stacking energy: -316.138
Base-Backbone interact. energy: -2.781
local terms energy: -313.549932
where:
bonds (distance) C4'-P energy: -56.247
bonds (distance) P-C4' energy: -64.625
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -37.310
tors. eta vs tors. theta energy: -85.685
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: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1032.848636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.848636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.848636 (E_RNA)
where:
Base-Base interactions energy: -719.528
where: short stacking energy: -319.516
Base-Backbone interact. energy: -0.745
local terms energy: -312.575075
where:
bonds (distance) C4'-P energy: -66.248
bonds (distance) P-C4' energy: -54.697
flat angles C4'-P-C4' energy: -64.520
flat angles P-C4'-P energy: -36.252
tors. eta vs tors. theta energy: -90.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -979.629443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.629443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.629443 (E_RNA)
where:
Base-Base interactions energy: -681.741
where: short stacking energy: -281.763
Base-Backbone interact. energy: -1.523
local terms energy: -296.364983
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -58.600
flat angles C4'-P-C4' energy: -66.502
flat angles P-C4'-P energy: -52.684
tors. eta vs tors. theta energy: -69.399
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: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -890.425734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.425734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.425734 (E_RNA)
where:
Base-Base interactions energy: -608.018
where: short stacking energy: -269.924
Base-Backbone interact. energy: -0.206
local terms energy: -282.201716
where:
bonds (distance) C4'-P energy: -47.984
bonds (distance) P-C4' energy: -62.661
flat angles C4'-P-C4' energy: -57.737
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -71.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -892.810670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.810670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.810670 (E_RNA)
where:
Base-Base interactions energy: -622.207
where: short stacking energy: -264.595
Base-Backbone interact. energy: -1.498
local terms energy: -269.105768
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -55.537
flat angles C4'-P-C4' energy: -54.053
flat angles P-C4'-P energy: -29.400
tors. eta vs tors. theta energy: -74.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -649.701969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.701969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.701969 (E_RNA)
where:
Base-Base interactions energy: -407.407
where: short stacking energy: -192.285
Base-Backbone interact. energy: -2.291
local terms energy: -240.003712
where:
bonds (distance) C4'-P energy: -56.209
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -35.311
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -583.176723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.176723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.176723 (E_RNA)
where:
Base-Base interactions energy: -390.246
where: short stacking energy: -183.054
Base-Backbone interact. energy: -1.105
local terms energy: -191.826262
where:
bonds (distance) C4'-P energy: -30.930
bonds (distance) P-C4' energy: -49.039
flat angles C4'-P-C4' energy: -44.878
flat angles P-C4'-P energy: -28.411
tors. eta vs tors. theta energy: -38.568
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -431.835207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.835207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.835207 (E_RNA)
where:
Base-Base interactions energy: -249.155
where: short stacking energy: -146.540
Base-Backbone interact. energy: -2.055
local terms energy: -180.625303
where:
bonds (distance) C4'-P energy: -38.921
bonds (distance) P-C4' energy: -47.854
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -27.915
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1143.390438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.390438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.390438 (E_RNA)
where:
Base-Base interactions energy: -814.836
where: short stacking energy: -339.846
Base-Backbone interact. energy: -2.264
local terms energy: -326.290493
where:
bonds (distance) C4'-P energy: -65.979
bonds (distance) P-C4' energy: -60.324
flat angles C4'-P-C4' energy: -62.206
flat angles P-C4'-P energy: -48.918
tors. eta vs tors. theta energy: -88.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1103.316721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.316721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.316721 (E_RNA)
where:
Base-Base interactions energy: -775.345
where: short stacking energy: -326.151
Base-Backbone interact. energy: -1.520
local terms energy: -326.451042
where:
bonds (distance) C4'-P energy: -63.184
bonds (distance) P-C4' energy: -58.913
flat angles C4'-P-C4' energy: -69.011
flat angles P-C4'-P energy: -38.818
tors. eta vs tors. theta energy: -96.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1087.820528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.820528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.820528 (E_RNA)
where:
Base-Base interactions energy: -772.848
where: short stacking energy: -323.557
Base-Backbone interact. energy: 0.460
local terms energy: -315.432264
where:
bonds (distance) C4'-P energy: -59.183
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -58.355
flat angles P-C4'-P energy: -49.987
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: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1034.040429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.040429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.040429 (E_RNA)
where:
Base-Base interactions energy: -747.364
where: short stacking energy: -313.575
Base-Backbone interact. energy: -1.044
local terms energy: -285.632195
where:
bonds (distance) C4'-P energy: -45.358
bonds (distance) P-C4' energy: -56.537
flat angles C4'-P-C4' energy: -64.251
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -85.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1004.150299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.150299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.150299 (E_RNA)
where:
Base-Base interactions energy: -705.801
where: short stacking energy: -287.082
Base-Backbone interact. energy: -1.262
local terms energy: -297.087822
where:
bonds (distance) C4'-P energy: -56.996
bonds (distance) P-C4' energy: -52.976
flat angles C4'-P-C4' energy: -65.857
flat angles P-C4'-P energy: -43.182
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: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -915.294521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.294521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.294521 (E_RNA)
where:
Base-Base interactions energy: -614.740
where: short stacking energy: -281.908
Base-Backbone interact. energy: -0.615
local terms energy: -299.939882
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -67.743
flat angles C4'-P-C4' energy: -60.416
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -77.916
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: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -877.544625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.544625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.544625 (E_RNA)
where:
Base-Base interactions energy: -612.700
where: short stacking energy: -275.957
Base-Backbone interact. energy: -0.951
local terms energy: -263.893784
where:
bonds (distance) C4'-P energy: -55.719
bonds (distance) P-C4' energy: -43.337
flat angles C4'-P-C4' energy: -57.307
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -68.780
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: 8
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -657.040938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.040938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.040938 (E_RNA)
where:
Base-Base interactions energy: -423.274
where: short stacking energy: -190.579
Base-Backbone interact. energy: 0.160
local terms energy: -233.926975
where:
bonds (distance) C4'-P energy: -49.728
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -57.668
flat angles P-C4'-P energy: -32.446
tors. eta vs tors. theta energy: -40.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -511.178269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.178269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.178269 (E_RNA)
where:
Base-Base interactions energy: -315.942
where: short stacking energy: -151.917
Base-Backbone interact. energy: -1.684
local terms energy: -193.552709
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -42.593
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -23.264
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: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -392.412231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.412231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.412231 (E_RNA)
where:
Base-Base interactions energy: -239.681
where: short stacking energy: -118.319
Base-Backbone interact. energy: -0.554
local terms energy: -152.177557
where:
bonds (distance) C4'-P energy: -49.383
bonds (distance) P-C4' energy: -40.889
flat angles C4'-P-C4' energy: -38.894
flat angles P-C4'-P energy: -23.468
tors. eta vs tors. theta energy: 0.456
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: 1
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1132.707563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.707563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.707563 (E_RNA)
where:
Base-Base interactions energy: -812.556
where: short stacking energy: -338.694
Base-Backbone interact. energy: -2.541
local terms energy: -317.610184
where:
bonds (distance) C4'-P energy: -51.401
bonds (distance) P-C4' energy: -65.128
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -102.568
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: 2, replica: 2
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1105.137815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.137815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.137815 (E_RNA)
where:
Base-Base interactions energy: -770.949
where: short stacking energy: -338.326
Base-Backbone interact. energy: -0.691
local terms energy: -333.498058
where:
bonds (distance) C4'-P energy: -57.859
bonds (distance) P-C4' energy: -61.385
flat angles C4'-P-C4' energy: -75.147
flat angles P-C4'-P energy: -42.550
tors. eta vs tors. theta energy: -96.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1097.756393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.756393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.756393 (E_RNA)
where:
Base-Base interactions energy: -788.665
where: short stacking energy: -345.495
Base-Backbone interact. energy: -0.359
local terms energy: -308.732638
where:
bonds (distance) C4'-P energy: -58.316
bonds (distance) P-C4' energy: -43.165
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -43.377
tors. eta vs tors. theta energy: -94.195
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: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1038.590814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.590814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.590814 (E_RNA)
where:
Base-Base interactions energy: -725.048
where: short stacking energy: -310.253
Base-Backbone interact. energy: -1.880
local terms energy: -311.663267
where:
bonds (distance) C4'-P energy: -54.664
bonds (distance) P-C4' energy: -56.827
flat angles C4'-P-C4' energy: -70.118
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: -91.430
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: 306
Temperature: 1.100000
Total energy: -985.793937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.793937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.793937 (E_RNA)
where:
Base-Base interactions energy: -717.545
where: short stacking energy: -289.446
Base-Backbone interact. energy: 5.029
local terms energy: -273.278460
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -46.561
flat angles C4'-P-C4' energy: -55.326
flat angles P-C4'-P energy: -44.812
tors. eta vs tors. theta energy: -74.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -919.588332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.588332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.588332 (E_RNA)
where:
Base-Base interactions energy: -644.233
where: short stacking energy: -283.950
Base-Backbone interact. energy: 0.808
local terms energy: -276.163701
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -52.119
flat angles C4'-P-C4' energy: -58.717
flat angles P-C4'-P energy: -43.375
tors. eta vs tors. theta energy: -80.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -850.774922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.774922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.774922 (E_RNA)
where:
Base-Base interactions energy: -583.362
where: short stacking energy: -252.995
Base-Backbone interact. energy: -0.140
local terms energy: -267.272678
where:
bonds (distance) C4'-P energy: -47.948
bonds (distance) P-C4' energy: -55.108
flat angles C4'-P-C4' energy: -58.802
flat angles P-C4'-P energy: -35.827
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -636.856690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.856690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.856690 (E_RNA)
where:
Base-Base interactions energy: -404.619
where: short stacking energy: -193.691
Base-Backbone interact. energy: -3.202
local terms energy: -229.035388
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -58.237
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -37.469
tors. eta vs tors. theta energy: -32.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -516.393653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.393653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.393653 (E_RNA)
where:
Base-Base interactions energy: -334.453
where: short stacking energy: -137.562
Base-Backbone interact. energy: 0.803
local terms energy: -182.744307
where:
bonds (distance) C4'-P energy: -50.847
bonds (distance) P-C4' energy: -40.541
flat angles C4'-P-C4' energy: -46.643
flat angles P-C4'-P energy: -25.326
tors. eta vs tors. theta energy: -19.387
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: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -393.557089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.557089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.557089 (E_RNA)
where:
Base-Base interactions energy: -226.883
where: short stacking energy: -130.650
Base-Backbone interact. energy: -0.890
local terms energy: -165.783452
where:
bonds (distance) C4'-P energy: -50.084
bonds (distance) P-C4' energy: -57.289
flat angles C4'-P-C4' energy: -39.269
flat angles P-C4'-P energy: -15.547
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1139.300884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.300884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.300884 (E_RNA)
where:
Base-Base interactions energy: -816.018
where: short stacking energy: -347.974
Base-Backbone interact. energy: -2.141
local terms energy: -321.142466
where:
bonds (distance) C4'-P energy: -52.138
bonds (distance) P-C4' energy: -58.943
flat angles C4'-P-C4' energy: -65.687
flat angles P-C4'-P energy: -46.306
tors. eta vs tors. theta energy: -98.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1124.707556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.707556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.707556 (E_RNA)
where:
Base-Base interactions energy: -794.750
where: short stacking energy: -336.388
Base-Backbone interact. energy: -2.681
local terms energy: -327.277259
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -61.838
flat angles C4'-P-C4' energy: -69.851
flat angles P-C4'-P energy: -41.551
tors. eta vs tors. theta energy: -94.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1093.135416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.135416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.135416 (E_RNA)
where:
Base-Base interactions energy: -772.798
where: short stacking energy: -319.011
Base-Backbone interact. energy: -1.790
local terms energy: -318.547586
where:
bonds (distance) C4'-P energy: -56.794
bonds (distance) P-C4' energy: -61.292
flat angles C4'-P-C4' energy: -63.592
flat angles P-C4'-P energy: -39.147
tors. eta vs tors. theta energy: -97.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1019.791683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.791683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.791683 (E_RNA)
where:
Base-Base interactions energy: -723.888
where: short stacking energy: -302.286
Base-Backbone interact. energy: 0.899
local terms energy: -296.802425
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -59.680
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -86.079
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -978.167495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.167495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.167495 (E_RNA)
where:
Base-Base interactions energy: -689.512
where: short stacking energy: -278.055
Base-Backbone interact. energy: -1.107
local terms energy: -287.548631
where:
bonds (distance) C4'-P energy: -55.118
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -58.348
flat angles P-C4'-P energy: -39.650
tors. eta vs tors. theta energy: -75.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -947.149640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.149640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.149640 (E_RNA)
where:
Base-Base interactions energy: -655.622
where: short stacking energy: -280.068
Base-Backbone interact. energy: -0.568
local terms energy: -290.959550
where:
bonds (distance) C4'-P energy: -43.768
bonds (distance) P-C4' energy: -57.525
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -83.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -864.493990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.493990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.493990 (E_RNA)
where:
Base-Base interactions energy: -586.990
where: short stacking energy: -257.022
Base-Backbone interact. energy: 2.441
local terms energy: -279.944888
where:
bonds (distance) C4'-P energy: -48.616
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -60.825
flat angles P-C4'-P energy: -51.335
tors. eta vs tors. theta energy: -71.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -632.324451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.324451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.324451 (E_RNA)
where:
Base-Base interactions energy: -421.544
where: short stacking energy: -201.186
Base-Backbone interact. energy: 3.139
local terms energy: -213.919570
where:
bonds (distance) C4'-P energy: -46.885
bonds (distance) P-C4' energy: -55.464
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -22.202
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: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -559.310408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.310408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.310408 (E_RNA)
where:
Base-Base interactions energy: -353.084
where: short stacking energy: -159.401
Base-Backbone interact. energy: 0.753
local terms energy: -206.979099
where:
bonds (distance) C4'-P energy: -50.969
bonds (distance) P-C4' energy: -58.493
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -417.958708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.958708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.958708 (E_RNA)
where:
Base-Base interactions energy: -233.515
where: short stacking energy: -125.178
Base-Backbone interact. energy: 1.478
local terms energy: -185.922310
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -52.062
flat angles C4'-P-C4' energy: -45.527
flat angles P-C4'-P energy: -24.127
tors. eta vs tors. theta energy: -11.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1154.863040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.863040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.863040 (E_RNA)
where:
Base-Base interactions energy: -817.693
where: short stacking energy: -341.487
Base-Backbone interact. energy: 0.612
local terms energy: -337.782818
where:
bonds (distance) C4'-P energy: -70.276
bonds (distance) P-C4' energy: -63.377
flat angles C4'-P-C4' energy: -68.546
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -90.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1108.748866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.748866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.748866 (E_RNA)
where:
Base-Base interactions energy: -787.617
where: short stacking energy: -334.643
Base-Backbone interact. energy: -0.515
local terms energy: -320.616983
where:
bonds (distance) C4'-P energy: -58.139
bonds (distance) P-C4' energy: -51.911
flat angles C4'-P-C4' energy: -74.237
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: -89.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1082.899123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.899123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.899123 (E_RNA)
where:
Base-Base interactions energy: -765.836
where: short stacking energy: -325.329
Base-Backbone interact. energy: -3.072
local terms energy: -313.991111
where:
bonds (distance) C4'-P energy: -57.277
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: -92.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1007.408459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.408459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.408459 (E_RNA)
where:
Base-Base interactions energy: -707.345
where: short stacking energy: -313.846
Base-Backbone interact. energy: 1.586
local terms energy: -301.649829
where:
bonds (distance) C4'-P energy: -60.488
bonds (distance) P-C4' energy: -52.756
flat angles C4'-P-C4' energy: -67.216
flat angles P-C4'-P energy: -33.590
tors. eta vs tors. theta energy: -87.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -962.650180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.650180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.650180 (E_RNA)
where:
Base-Base interactions energy: -681.919
where: short stacking energy: -294.279
Base-Backbone interact. energy: -0.486
local terms energy: -280.246074
where:
bonds (distance) C4'-P energy: -53.952
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -54.221
flat angles P-C4'-P energy: -41.658
tors. eta vs tors. theta energy: -75.797
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -955.958311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.958311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.958311 (E_RNA)
where:
Base-Base interactions energy: -675.239
where: short stacking energy: -284.271
Base-Backbone interact. energy: -0.586
local terms energy: -280.133033
where:
bonds (distance) C4'-P energy: -57.522
bonds (distance) P-C4' energy: -49.583
flat angles C4'-P-C4' energy: -57.359
flat angles P-C4'-P energy: -47.683
tors. eta vs tors. theta energy: -67.986
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: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -869.722613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.722613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.722613 (E_RNA)
where:
Base-Base interactions energy: -588.475
where: short stacking energy: -258.746
Base-Backbone interact. energy: -1.414
local terms energy: -279.833436
where:
bonds (distance) C4'-P energy: -56.080
bonds (distance) P-C4' energy: -61.259
flat angles C4'-P-C4' energy: -63.199
flat angles P-C4'-P energy: -34.135
tors. eta vs tors. theta energy: -65.160
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: 8, replica: 8
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -671.278602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.278602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.278602 (E_RNA)
where:
Base-Base interactions energy: -421.881
where: short stacking energy: -194.900
Base-Backbone interact. energy: -1.016
local terms energy: -248.381965
where:
bonds (distance) C4'-P energy: -53.017
bonds (distance) P-C4' energy: -60.562
flat angles C4'-P-C4' energy: -46.503
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: -40.491
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: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -532.180661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.180661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.180661 (E_RNA)
where:
Base-Base interactions energy: -327.466
where: short stacking energy: -158.660
Base-Backbone interact. energy: -1.041
local terms energy: -203.674329
where:
bonds (distance) C4'-P energy: -42.439
bonds (distance) P-C4' energy: -62.405
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -30.813
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -408.848964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.848964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.848964 (E_RNA)
where:
Base-Base interactions energy: -216.082
where: short stacking energy: -107.662
Base-Backbone interact. energy: -0.064
local terms energy: -192.703656
where:
bonds (distance) C4'-P energy: -55.035
bonds (distance) P-C4' energy: -47.790
flat angles C4'-P-C4' energy: -47.080
flat angles P-C4'-P energy: -38.918
tors. eta vs tors. theta energy: -3.882
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: 1
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1146.005833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.005833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.005833 (E_RNA)
where:
Base-Base interactions energy: -816.098
where: short stacking energy: -342.382
Base-Backbone interact. energy: -1.138
local terms energy: -328.769060
where:
bonds (distance) C4'-P energy: -64.650
bonds (distance) P-C4' energy: -59.709
flat angles C4'-P-C4' energy: -68.492
flat angles P-C4'-P energy: -44.084
tors. eta vs tors. theta energy: -91.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1096.493262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.493262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.493262 (E_RNA)
where:
Base-Base interactions energy: -787.786
where: short stacking energy: -333.068
Base-Backbone interact. energy: -1.890
local terms energy: -306.817521
where:
bonds (distance) C4'-P energy: -54.515
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -87.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1095.602360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.602360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.602360 (E_RNA)
where:
Base-Base interactions energy: -792.851
where: short stacking energy: -337.077
Base-Backbone interact. energy: -0.877
local terms energy: -301.874694
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -51.810
flat angles C4'-P-C4' energy: -67.629
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -93.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -998.501828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.501828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.501828 (E_RNA)
where:
Base-Base interactions energy: -690.863
where: short stacking energy: -285.815
Base-Backbone interact. energy: -0.591
local terms energy: -307.048041
where:
bonds (distance) C4'-P energy: -61.445
bonds (distance) P-C4' energy: -52.746
flat angles C4'-P-C4' energy: -57.613
flat angles P-C4'-P energy: -49.359
tors. eta vs tors. theta energy: -85.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -961.353669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.353669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.353669 (E_RNA)
where:
Base-Base interactions energy: -655.259
where: short stacking energy: -279.567
Base-Backbone interact. energy: -2.241
local terms energy: -303.853877
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -64.648
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -79.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -957.624022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.624022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.624022 (E_RNA)
where:
Base-Base interactions energy: -669.874
where: short stacking energy: -275.101
Base-Backbone interact. energy: 0.966
local terms energy: -288.716126
where:
bonds (distance) C4'-P energy: -63.471
bonds (distance) P-C4' energy: -54.810
flat angles C4'-P-C4' energy: -59.932
flat angles P-C4'-P energy: -37.433
tors. eta vs tors. theta energy: -73.070
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: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -871.114643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.114643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.114643 (E_RNA)
where:
Base-Base interactions energy: -593.866
where: short stacking energy: -260.098
Base-Backbone interact. energy: 0.933
local terms energy: -278.181470
where:
bonds (distance) C4'-P energy: -45.196
bonds (distance) P-C4' energy: -51.501
flat angles C4'-P-C4' energy: -59.933
flat angles P-C4'-P energy: -46.134
tors. eta vs tors. theta energy: -75.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -687.224201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.224201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.224201 (E_RNA)
where:
Base-Base interactions energy: -442.085
where: short stacking energy: -212.541
Base-Backbone interact. energy: 0.473
local terms energy: -245.612177
where:
bonds (distance) C4'-P energy: -45.404
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -28.600
tors. eta vs tors. theta energy: -49.837
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -533.532009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.532009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.532009 (E_RNA)
where:
Base-Base interactions energy: -326.955
where: short stacking energy: -170.721
Base-Backbone interact. energy: 1.702
local terms energy: -208.278990
where:
bonds (distance) C4'-P energy: -46.783
bonds (distance) P-C4' energy: -46.663
flat angles C4'-P-C4' energy: -55.804
flat angles P-C4'-P energy: -28.802
tors. eta vs tors. theta energy: -30.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -409.048733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.048733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.048733 (E_RNA)
where:
Base-Base interactions energy: -244.773
where: short stacking energy: -127.324
Base-Backbone interact. energy: -0.947
local terms energy: -163.328379
where:
bonds (distance) C4'-P energy: -41.290
bonds (distance) P-C4' energy: -45.348
flat angles C4'-P-C4' energy: -43.774
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: -3.867
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: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1165.668519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.668519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.668519 (E_RNA)
where:
Base-Base interactions energy: -816.818
where: short stacking energy: -340.391
Base-Backbone interact. energy: -1.358
local terms energy: -347.492370
where:
bonds (distance) C4'-P energy: -73.069
bonds (distance) P-C4' energy: -68.852
flat angles C4'-P-C4' energy: -59.750
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -100.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1123.389160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.389160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.389160 (E_RNA)
where:
Base-Base interactions energy: -790.629
where: short stacking energy: -340.861
Base-Backbone interact. energy: -1.667
local terms energy: -331.092783
where:
bonds (distance) C4'-P energy: -61.434
bonds (distance) P-C4' energy: -57.479
flat angles C4'-P-C4' energy: -66.468
flat angles P-C4'-P energy: -47.887
tors. eta vs tors. theta energy: -97.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1038.876575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.876575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.876575 (E_RNA)
where:
Base-Base interactions energy: -719.787
where: short stacking energy: -314.526
Base-Backbone interact. energy: -0.488
local terms energy: -318.601469
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -41.406
tors. eta vs tors. theta energy: -85.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1069.974431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.974431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.974431 (E_RNA)
where:
Base-Base interactions energy: -762.183
where: short stacking energy: -312.250
Base-Backbone interact. energy: -0.739
local terms energy: -307.052433
where:
bonds (distance) C4'-P energy: -54.240
bonds (distance) P-C4' energy: -60.150
flat angles C4'-P-C4' energy: -64.884
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -88.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -989.585239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.585239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.585239 (E_RNA)
where:
Base-Base interactions energy: -683.851
where: short stacking energy: -292.168
Base-Backbone interact. energy: -1.250
local terms energy: -304.484146
where:
bonds (distance) C4'-P energy: -59.491
bonds (distance) P-C4' energy: -59.118
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -40.178
tors. eta vs tors. theta energy: -82.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -946.180601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.180601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.180601 (E_RNA)
where:
Base-Base interactions energy: -649.185
where: short stacking energy: -278.624
Base-Backbone interact. energy: 0.317
local terms energy: -297.312399
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -58.575
flat angles C4'-P-C4' energy: -65.979
flat angles P-C4'-P energy: -41.907
tors. eta vs tors. theta energy: -80.612
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -876.938561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.938561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.938561 (E_RNA)
where:
Base-Base interactions energy: -617.723
where: short stacking energy: -258.598
Base-Backbone interact. energy: -0.995
local terms energy: -258.221312
where:
bonds (distance) C4'-P energy: -57.109
bonds (distance) P-C4' energy: -50.420
flat angles C4'-P-C4' energy: -52.225
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -61.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -673.689257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.689257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.689257 (E_RNA)
where:
Base-Base interactions energy: -421.986
where: short stacking energy: -194.022
Base-Backbone interact. energy: -0.431
local terms energy: -251.271993
where:
bonds (distance) C4'-P energy: -57.834
bonds (distance) P-C4' energy: -50.692
flat angles C4'-P-C4' energy: -59.276
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -45.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -538.321474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.321474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.321474 (E_RNA)
where:
Base-Base interactions energy: -334.240
where: short stacking energy: -159.949
Base-Backbone interact. energy: -1.597
local terms energy: -202.484733
where:
bonds (distance) C4'-P energy: -39.437
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -47.592
flat angles P-C4'-P energy: -24.306
tors. eta vs tors. theta energy: -36.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -402.137036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.137036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.137036 (E_RNA)
where:
Base-Base interactions energy: -242.406
where: short stacking energy: -122.485
Base-Backbone interact. energy: 1.090
local terms energy: -160.821040
where:
bonds (distance) C4'-P energy: -45.475
bonds (distance) P-C4' energy: -49.631
flat angles C4'-P-C4' energy: -45.086
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -6.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1146.346483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.346483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.346483 (E_RNA)
where:
Base-Base interactions energy: -812.827
where: short stacking energy: -346.142
Base-Backbone interact. energy: -1.244
local terms energy: -332.275458
where:
bonds (distance) C4'-P energy: -50.293
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -72.100
flat angles P-C4'-P energy: -48.430
tors. eta vs tors. theta energy: -95.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1100.886459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.886459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.886459 (E_RNA)
where:
Base-Base interactions energy: -779.907
where: short stacking energy: -327.390
Base-Backbone interact. energy: -1.012
local terms energy: -319.967786
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -58.603
flat angles C4'-P-C4' energy: -72.531
flat angles P-C4'-P energy: -43.984
tors. eta vs tors. theta energy: -99.657
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: 6
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1043.012797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.012797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.012797 (E_RNA)
where:
Base-Base interactions energy: -707.000
where: short stacking energy: -309.273
Base-Backbone interact. energy: -0.635
local terms energy: -335.377580
where:
bonds (distance) C4'-P energy: -60.884
bonds (distance) P-C4' energy: -66.215
flat angles C4'-P-C4' energy: -72.968
flat angles P-C4'-P energy: -43.870
tors. eta vs tors. theta energy: -91.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1064.016675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.016675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.016675 (E_RNA)
where:
Base-Base interactions energy: -746.441
where: short stacking energy: -321.515
Base-Backbone interact. energy: -2.604
local terms energy: -314.972159
where:
bonds (distance) C4'-P energy: -53.106
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -87.909
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: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1004.809060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.809060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.809060 (E_RNA)
where:
Base-Base interactions energy: -721.340
where: short stacking energy: -300.757
Base-Backbone interact. energy: -0.362
local terms energy: -283.107109
where:
bonds (distance) C4'-P energy: -46.923
bonds (distance) P-C4' energy: -54.370
flat angles C4'-P-C4' energy: -69.818
flat angles P-C4'-P energy: -34.856
tors. eta vs tors. theta energy: -77.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -926.194223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.194223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.194223 (E_RNA)
where:
Base-Base interactions energy: -641.609
where: short stacking energy: -279.390
Base-Backbone interact. energy: 0.050
local terms energy: -284.635626
where:
bonds (distance) C4'-P energy: -55.352
bonds (distance) P-C4' energy: -51.766
flat angles C4'-P-C4' energy: -65.903
flat angles P-C4'-P energy: -36.742
tors. eta vs tors. theta energy: -74.873
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: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -874.012940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.012940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.012940 (E_RNA)
where:
Base-Base interactions energy: -594.853
where: short stacking energy: -253.805
Base-Backbone interact. energy: -0.614
local terms energy: -278.545135
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -58.447
flat angles P-C4'-P energy: -43.254
tors. eta vs tors. theta energy: -72.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -668.969647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.969647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.969647 (E_RNA)
where:
Base-Base interactions energy: -436.569
where: short stacking energy: -201.092
Base-Backbone interact. energy: 0.154
local terms energy: -232.555260
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -49.851
flat angles C4'-P-C4' energy: -56.111
flat angles P-C4'-P energy: -33.164
tors. eta vs tors. theta energy: -40.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -583.505306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.505306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.505306 (E_RNA)
where:
Base-Base interactions energy: -375.487
where: short stacking energy: -163.646
Base-Backbone interact. energy: 1.754
local terms energy: -209.772877
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -52.564
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -39.496
tors. eta vs tors. theta energy: -31.935
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: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -452.959484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.959484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.959484 (E_RNA)
where:
Base-Base interactions energy: -272.004
where: short stacking energy: -146.067
Base-Backbone interact. energy: -1.341
local terms energy: -179.613793
where:
bonds (distance) C4'-P energy: -41.865
bonds (distance) P-C4' energy: -48.707
flat angles C4'-P-C4' energy: -39.856
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1132.029310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.029310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.029310 (E_RNA)
where:
Base-Base interactions energy: -802.942
where: short stacking energy: -329.977
Base-Backbone interact. energy: -1.144
local terms energy: -327.943572
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -60.437
flat angles C4'-P-C4' energy: -66.033
flat angles P-C4'-P energy: -41.699
tors. eta vs tors. theta energy: -99.141
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1109.972155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.972155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.972155 (E_RNA)
where:
Base-Base interactions energy: -785.852
where: short stacking energy: -324.500
Base-Backbone interact. energy: -2.333
local terms energy: -321.786589
where:
bonds (distance) C4'-P energy: -61.945
bonds (distance) P-C4' energy: -55.813
flat angles C4'-P-C4' energy: -70.230
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -91.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1078.142986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.142986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.142986 (E_RNA)
where:
Base-Base interactions energy: -762.117
where: short stacking energy: -327.575
Base-Backbone interact. energy: 0.369
local terms energy: -316.395524
where:
bonds (distance) C4'-P energy: -59.983
bonds (distance) P-C4' energy: -56.262
flat angles C4'-P-C4' energy: -64.262
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -93.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1039.078945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.078945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.078945 (E_RNA)
where:
Base-Base interactions energy: -732.492
where: short stacking energy: -327.807
Base-Backbone interact. energy: -1.332
local terms energy: -305.255027
where:
bonds (distance) C4'-P energy: -44.495
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -61.068
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -93.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -988.414513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.414513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.414513 (E_RNA)
where:
Base-Base interactions energy: -688.330
where: short stacking energy: -287.992
Base-Backbone interact. energy: -3.758
local terms energy: -296.327331
where:
bonds (distance) C4'-P energy: -59.251
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -63.464
flat angles P-C4'-P energy: -49.089
tors. eta vs tors. theta energy: -82.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -888.740451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.740451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.740451 (E_RNA)
where:
Base-Base interactions energy: -612.167
where: short stacking energy: -274.172
Base-Backbone interact. energy: -0.734
local terms energy: -275.838972
where:
bonds (distance) C4'-P energy: -47.991
bonds (distance) P-C4' energy: -54.193
flat angles C4'-P-C4' energy: -52.623
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -72.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -871.443481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.443481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.443481 (E_RNA)
where:
Base-Base interactions energy: -583.415
where: short stacking energy: -259.423
Base-Backbone interact. energy: -0.501
local terms energy: -287.527915
where:
bonds (distance) C4'-P energy: -46.775
bonds (distance) P-C4' energy: -63.664
flat angles C4'-P-C4' energy: -62.550
flat angles P-C4'-P energy: -43.920
tors. eta vs tors. theta energy: -70.619
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: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -652.048570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.048570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.048570 (E_RNA)
where:
Base-Base interactions energy: -429.278
where: short stacking energy: -206.527
Base-Backbone interact. energy: -3.081
local terms energy: -219.689504
where:
bonds (distance) C4'-P energy: -47.420
bonds (distance) P-C4' energy: -34.780
flat angles C4'-P-C4' energy: -58.622
flat angles P-C4'-P energy: -33.721
tors. eta vs tors. theta energy: -45.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -595.256729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.256729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.256729 (E_RNA)
where:
Base-Base interactions energy: -368.475
where: short stacking energy: -173.376
Base-Backbone interact. energy: -1.190
local terms energy: -225.591829
where:
bonds (distance) C4'-P energy: -43.996
bonds (distance) P-C4' energy: -63.380
flat angles C4'-P-C4' energy: -48.521
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -40.055
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: 10, replica: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -445.081527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.081527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.081527 (E_RNA)
where:
Base-Base interactions energy: -247.635
where: short stacking energy: -130.660
Base-Backbone interact. energy: 0.613
local terms energy: -198.059270
where:
bonds (distance) C4'-P energy: -50.141
bonds (distance) P-C4' energy: -53.809
flat angles C4'-P-C4' energy: -37.697
flat angles P-C4'-P energy: -37.439
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1135.072281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.072281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.072281 (E_RNA)
where:
Base-Base interactions energy: -806.590
where: short stacking energy: -340.529
Base-Backbone interact. energy: -1.720
local terms energy: -326.762459
where:
bonds (distance) C4'-P energy: -58.920
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -65.571
flat angles P-C4'-P energy: -54.435
tors. eta vs tors. theta energy: -92.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1117.084329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.084329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.084329 (E_RNA)
where:
Base-Base interactions energy: -792.065
where: short stacking energy: -325.807
Base-Backbone interact. energy: -0.710
local terms energy: -324.309503
where:
bonds (distance) C4'-P energy: -57.766
bonds (distance) P-C4' energy: -66.039
flat angles C4'-P-C4' energy: -65.350
flat angles P-C4'-P energy: -46.190
tors. eta vs tors. theta energy: -88.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1088.249949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.249949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.249949 (E_RNA)
where:
Base-Base interactions energy: -774.614
where: short stacking energy: -312.505
Base-Backbone interact. energy: 0.745
local terms energy: -314.380836
where:
bonds (distance) C4'-P energy: -62.028
bonds (distance) P-C4' energy: -55.624
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -81.902
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: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1031.552436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.552436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.552436 (E_RNA)
where:
Base-Base interactions energy: -737.655
where: short stacking energy: -309.848
Base-Backbone interact. energy: -1.219
local terms energy: -292.677851
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -62.078
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: -87.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1008.256184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.256184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.256184 (E_RNA)
where:
Base-Base interactions energy: -715.157
where: short stacking energy: -295.318
Base-Backbone interact. energy: -1.655
local terms energy: -291.444899
where:
bonds (distance) C4'-P energy: -48.293
bonds (distance) P-C4' energy: -55.912
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -40.458
tors. eta vs tors. theta energy: -83.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -910.204728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.204728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.204728 (E_RNA)
where:
Base-Base interactions energy: -626.680
where: short stacking energy: -277.815
Base-Backbone interact. energy: -0.851
local terms energy: -282.673670
where:
bonds (distance) C4'-P energy: -57.498
bonds (distance) P-C4' energy: -59.869
flat angles C4'-P-C4' energy: -64.331
flat angles P-C4'-P energy: -33.792
tors. eta vs tors. theta energy: -67.184
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: 313
Temperature: 1.200000
Total energy: -883.371368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.371368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.371368 (E_RNA)
where:
Base-Base interactions energy: -628.707
where: short stacking energy: -267.357
Base-Backbone interact. energy: -1.319
local terms energy: -253.345850
where:
bonds (distance) C4'-P energy: -43.355
bonds (distance) P-C4' energy: -65.017
flat angles C4'-P-C4' energy: -57.282
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -63.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -599.971437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.971437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.971437 (E_RNA)
where:
Base-Base interactions energy: -377.125
where: short stacking energy: -170.194
Base-Backbone interact. energy: -0.201
local terms energy: -222.645496
where:
bonds (distance) C4'-P energy: -45.002
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -51.654
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -28.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -609.120360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.120360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.120360 (E_RNA)
where:
Base-Base interactions energy: -393.214
where: short stacking energy: -186.411
Base-Backbone interact. energy: -0.607
local terms energy: -215.299998
where:
bonds (distance) C4'-P energy: -39.699
bonds (distance) P-C4' energy: -63.831
flat angles C4'-P-C4' energy: -49.482
flat angles P-C4'-P energy: -27.548
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -437.122533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.122533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.122533 (E_RNA)
where:
Base-Base interactions energy: -237.936
where: short stacking energy: -129.864
Base-Backbone interact. energy: -0.867
local terms energy: -198.318700
where:
bonds (distance) C4'-P energy: -45.686
bonds (distance) P-C4' energy: -61.157
flat angles C4'-P-C4' energy: -45.234
flat angles P-C4'-P energy: -32.684
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1140.833317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.833317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.833317 (E_RNA)
where:
Base-Base interactions energy: -814.009
where: short stacking energy: -336.016
Base-Backbone interact. energy: -1.217
local terms energy: -325.607538
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -66.631
flat angles P-C4'-P energy: -45.415
tors. eta vs tors. theta energy: -97.548
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: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1128.054781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.054781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.054781 (E_RNA)
where:
Base-Base interactions energy: -800.871
where: short stacking energy: -336.345
Base-Backbone interact. energy: -2.591
local terms energy: -324.592324
where:
bonds (distance) C4'-P energy: -56.122
bonds (distance) P-C4' energy: -64.923
flat angles C4'-P-C4' energy: -69.540
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -92.415
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: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1091.879909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.879909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.879909 (E_RNA)
where:
Base-Base interactions energy: -754.977
where: short stacking energy: -313.228
Base-Backbone interact. energy: -3.747
local terms energy: -333.156317
where:
bonds (distance) C4'-P energy: -63.750
bonds (distance) P-C4' energy: -58.972
flat angles C4'-P-C4' energy: -75.208
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -86.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1015.185213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.185213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.185213 (E_RNA)
where:
Base-Base interactions energy: -729.853
where: short stacking energy: -315.220
Base-Backbone interact. energy: -1.434
local terms energy: -283.897997
where:
bonds (distance) C4'-P energy: -40.719
bonds (distance) P-C4' energy: -55.148
flat angles C4'-P-C4' energy: -65.353
flat angles P-C4'-P energy: -34.010
tors. eta vs tors. theta energy: -88.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1032.027566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.027566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.027566 (E_RNA)
where:
Base-Base interactions energy: -732.061
where: short stacking energy: -316.378
Base-Backbone interact. energy: -0.047
local terms energy: -299.919262
where:
bonds (distance) C4'-P energy: -57.710
bonds (distance) P-C4' energy: -53.079
flat angles C4'-P-C4' energy: -66.922
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -90.665
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: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -883.139556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.139556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.139556 (E_RNA)
where:
Base-Base interactions energy: -614.331
where: short stacking energy: -259.179
Base-Backbone interact. energy: -0.353
local terms energy: -268.456081
where:
bonds (distance) C4'-P energy: -51.897
bonds (distance) P-C4' energy: -54.181
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -31.553
tors. eta vs tors. theta energy: -74.673
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: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -907.076848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.076848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.076848 (E_RNA)
where:
Base-Base interactions energy: -623.053
where: short stacking energy: -251.567
Base-Backbone interact. energy: -0.538
local terms energy: -283.486181
where:
bonds (distance) C4'-P energy: -48.086
bonds (distance) P-C4' energy: -51.495
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -39.772
tors. eta vs tors. theta energy: -74.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -593.766636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.766636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.766636 (E_RNA)
where:
Base-Base interactions energy: -392.749
where: short stacking energy: -202.863
Base-Backbone interact. energy: -0.956
local terms energy: -200.061359
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -52.524
flat angles C4'-P-C4' energy: -51.889
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -598.039298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.039298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.039298 (E_RNA)
where:
Base-Base interactions energy: -403.199
where: short stacking energy: -179.535
Base-Backbone interact. energy: 0.982
local terms energy: -195.822352
where:
bonds (distance) C4'-P energy: -45.492
bonds (distance) P-C4' energy: -42.312
flat angles C4'-P-C4' energy: -36.999
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -29.857
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: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -420.225794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.225794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.225794 (E_RNA)
where:
Base-Base interactions energy: -227.108
where: short stacking energy: -130.538
Base-Backbone interact. energy: -1.047
local terms energy: -192.071043
where:
bonds (distance) C4'-P energy: -44.942
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -46.861
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1139.662120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.662120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.662120 (E_RNA)
where:
Base-Base interactions energy: -819.261
where: short stacking energy: -337.475
Base-Backbone interact. energy: -1.614
local terms energy: -318.787241
where:
bonds (distance) C4'-P energy: -59.033
bonds (distance) P-C4' energy: -53.959
flat angles C4'-P-C4' energy: -71.764
flat angles P-C4'-P energy: -45.013
tors. eta vs tors. theta energy: -89.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1121.004406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.004406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.004406 (E_RNA)
where:
Base-Base interactions energy: -785.920
where: short stacking energy: -334.860
Base-Backbone interact. energy: 2.235
local terms energy: -337.319302
where:
bonds (distance) C4'-P energy: -65.765
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -73.269
flat angles P-C4'-P energy: -52.277
tors. eta vs tors. theta energy: -90.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1096.826814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.826814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.826814 (E_RNA)
where:
Base-Base interactions energy: -759.554
where: short stacking energy: -330.925
Base-Backbone interact. energy: -2.781
local terms energy: -334.491267
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -61.267
flat angles C4'-P-C4' energy: -72.286
flat angles P-C4'-P energy: -45.718
tors. eta vs tors. theta energy: -102.343
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: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1002.517133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.517133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.517133 (E_RNA)
where:
Base-Base interactions energy: -693.866
where: short stacking energy: -302.298
Base-Backbone interact. energy: -0.223
local terms energy: -308.428144
where:
bonds (distance) C4'-P energy: -51.954
bonds (distance) P-C4' energy: -53.140
flat angles C4'-P-C4' energy: -68.717
flat angles P-C4'-P energy: -45.905
tors. eta vs tors. theta energy: -88.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -993.953253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.953253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.953253 (E_RNA)
where:
Base-Base interactions energy: -692.817
where: short stacking energy: -306.024
Base-Backbone interact. energy: -1.188
local terms energy: -299.948168
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -51.920
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -83.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -919.630436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.630436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.630436 (E_RNA)
where:
Base-Base interactions energy: -639.535
where: short stacking energy: -280.585
Base-Backbone interact. energy: -0.795
local terms energy: -279.300800
where:
bonds (distance) C4'-P energy: -62.763
bonds (distance) P-C4' energy: -53.551
flat angles C4'-P-C4' energy: -53.144
flat angles P-C4'-P energy: -31.659
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: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -860.191115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.191115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.191115 (E_RNA)
where:
Base-Base interactions energy: -588.473
where: short stacking energy: -251.342
Base-Backbone interact. energy: -3.030
local terms energy: -268.688420
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -55.538
flat angles P-C4'-P energy: -39.660
tors. eta vs tors. theta energy: -67.102
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: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -675.759224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.759224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.759224 (E_RNA)
where:
Base-Base interactions energy: -451.679
where: short stacking energy: -203.885
Base-Backbone interact. energy: 1.012
local terms energy: -225.092866
where:
bonds (distance) C4'-P energy: -38.861
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -34.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -585.269810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.269810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.269810 (E_RNA)
where:
Base-Base interactions energy: -386.316
where: short stacking energy: -181.833
Base-Backbone interact. energy: -0.650
local terms energy: -198.303224
where:
bonds (distance) C4'-P energy: -43.049
bonds (distance) P-C4' energy: -41.053
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -30.511
tors. eta vs tors. theta energy: -38.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -406.982383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.982383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.982383 (E_RNA)
where:
Base-Base interactions energy: -227.347
where: short stacking energy: -121.888
Base-Backbone interact. energy: -1.463
local terms energy: -178.172402
where:
bonds (distance) C4'-P energy: -37.725
bonds (distance) P-C4' energy: -55.338
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1143.712000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.712000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.712000 (E_RNA)
where:
Base-Base interactions energy: -820.184
where: short stacking energy: -328.322
Base-Backbone interact. energy: -1.506
local terms energy: -322.022589
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -60.592
flat angles C4'-P-C4' energy: -67.040
flat angles P-C4'-P energy: -36.608
tors. eta vs tors. theta energy: -96.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1156.221796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.221796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.221796 (E_RNA)
where:
Base-Base interactions energy: -818.375
where: short stacking energy: -360.354
Base-Backbone interact. energy: -1.597
local terms energy: -336.249327
where:
bonds (distance) C4'-P energy: -54.125
bonds (distance) P-C4' energy: -64.834
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -98.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1101.032092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.032092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.032092 (E_RNA)
where:
Base-Base interactions energy: -778.388
where: short stacking energy: -332.348
Base-Backbone interact. energy: -2.768
local terms energy: -319.875289
where:
bonds (distance) C4'-P energy: -56.563
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -70.795
flat angles P-C4'-P energy: -50.367
tors. eta vs tors. theta energy: -92.909
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: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1008.963752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.963752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.963752 (E_RNA)
where:
Base-Base interactions energy: -710.399
where: short stacking energy: -297.131
Base-Backbone interact. energy: -0.031
local terms energy: -298.534068
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -54.883
flat angles C4'-P-C4' energy: -68.130
flat angles P-C4'-P energy: -44.806
tors. eta vs tors. theta energy: -83.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1024.374203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.374203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.374203 (E_RNA)
where:
Base-Base interactions energy: -721.588
where: short stacking energy: -310.847
Base-Backbone interact. energy: -0.902
local terms energy: -301.884688
where:
bonds (distance) C4'-P energy: -57.840
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -60.874
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -93.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -929.836197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.836197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.836197 (E_RNA)
where:
Base-Base interactions energy: -661.833
where: short stacking energy: -283.424
Base-Backbone interact. energy: 1.967
local terms energy: -269.969757
where:
bonds (distance) C4'-P energy: -48.492
bonds (distance) P-C4' energy: -52.676
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -34.881
tors. eta vs tors. theta energy: -70.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -860.897061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.897061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.897061 (E_RNA)
where:
Base-Base interactions energy: -583.992
where: short stacking energy: -248.687
Base-Backbone interact. energy: -2.027
local terms energy: -274.877881
where:
bonds (distance) C4'-P energy: -45.118
bonds (distance) P-C4' energy: -59.692
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -64.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -636.709383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.709383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.709383 (E_RNA)
where:
Base-Base interactions energy: -403.745
where: short stacking energy: -188.656
Base-Backbone interact. energy: -1.140
local terms energy: -231.824555
where:
bonds (distance) C4'-P energy: -57.295
bonds (distance) P-C4' energy: -51.827
flat angles C4'-P-C4' energy: -48.320
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -41.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -556.064786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.064786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.064786 (E_RNA)
where:
Base-Base interactions energy: -337.578
where: short stacking energy: -151.723
Base-Backbone interact. energy: -2.227
local terms energy: -216.259597
where:
bonds (distance) C4'-P energy: -48.059
bonds (distance) P-C4' energy: -47.220
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -31.293
tors. eta vs tors. theta energy: -27.539
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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -417.902487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.902487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.902487 (E_RNA)
where:
Base-Base interactions energy: -238.868
where: short stacking energy: -129.023
Base-Backbone interact. energy: 0.062
local terms energy: -179.096330
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -50.574
flat angles C4'-P-C4' energy: -44.978
flat angles P-C4'-P energy: -19.788
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1141.540591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.540591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.540591 (E_RNA)
where:
Base-Base interactions energy: -813.457
where: short stacking energy: -348.062
Base-Backbone interact. energy: -2.410
local terms energy: -325.673521
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -59.347
flat angles C4'-P-C4' energy: -69.179
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -97.725
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: 2, replica: 3
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1123.624107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.624107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.624107 (E_RNA)
where:
Base-Base interactions energy: -804.756
where: short stacking energy: -351.082
Base-Backbone interact. energy: -0.571
local terms energy: -318.297534
where:
bonds (distance) C4'-P energy: -47.401
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -72.267
flat angles P-C4'-P energy: -46.367
tors. eta vs tors. theta energy: -94.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1082.875460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.875460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.875460 (E_RNA)
where:
Base-Base interactions energy: -761.241
where: short stacking energy: -321.971
Base-Backbone interact. energy: -2.331
local terms energy: -319.303323
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -58.596
flat angles C4'-P-C4' energy: -65.912
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -94.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1032.880995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.880995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.880995 (E_RNA)
where:
Base-Base interactions energy: -731.497
where: short stacking energy: -317.670
Base-Backbone interact. energy: -0.080
local terms energy: -301.303792
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -61.968
flat angles C4'-P-C4' energy: -58.684
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -91.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1010.266401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.266401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.266401 (E_RNA)
where:
Base-Base interactions energy: -703.744
where: short stacking energy: -279.412
Base-Backbone interact. energy: -1.201
local terms energy: -305.321256
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -58.550
flat angles C4'-P-C4' energy: -67.712
flat angles P-C4'-P energy: -47.965
tors. eta vs tors. theta energy: -78.961
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: 6, replica: 5
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -943.355980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.355980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.355980 (E_RNA)
where:
Base-Base interactions energy: -666.304
where: short stacking energy: -279.219
Base-Backbone interact. energy: -2.285
local terms energy: -274.767458
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -54.199
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -73.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -863.302530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.302530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.302530 (E_RNA)
where:
Base-Base interactions energy: -564.151
where: short stacking energy: -245.882
Base-Backbone interact. energy: -0.897
local terms energy: -298.254571
where:
bonds (distance) C4'-P energy: -59.120
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -54.455
flat angles P-C4'-P energy: -51.051
tors. eta vs tors. theta energy: -78.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -656.680893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.680893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.680893 (E_RNA)
where:
Base-Base interactions energy: -422.400
where: short stacking energy: -192.395
Base-Backbone interact. energy: 0.096
local terms energy: -234.376589
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -32.313
tors. eta vs tors. theta energy: -35.803
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -531.746161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.746161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.746161 (E_RNA)
where:
Base-Base interactions energy: -329.934
where: short stacking energy: -147.236
Base-Backbone interact. energy: -0.185
local terms energy: -201.627004
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -46.549
flat angles C4'-P-C4' energy: -40.745
flat angles P-C4'-P energy: -29.269
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -433.382815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.382815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.382815 (E_RNA)
where:
Base-Base interactions energy: -220.726
where: short stacking energy: -138.246
Base-Backbone interact. energy: -0.177
local terms energy: -212.480266
where:
bonds (distance) C4'-P energy: -52.194
bonds (distance) P-C4' energy: -49.016
flat angles C4'-P-C4' energy: -43.238
flat angles P-C4'-P energy: -37.966
tors. eta vs tors. theta energy: -30.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1130.915760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.915760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.915760 (E_RNA)
where:
Base-Base interactions energy: -801.235
where: short stacking energy: -343.148
Base-Backbone interact. energy: -1.489
local terms energy: -328.191978
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -53.364
flat angles C4'-P-C4' energy: -72.129
flat angles P-C4'-P energy: -46.167
tors. eta vs tors. theta energy: -96.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1130.669384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.669384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.669384 (E_RNA)
where:
Base-Base interactions energy: -806.631
where: short stacking energy: -347.762
Base-Backbone interact. energy: -4.128
local terms energy: -319.910341
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -68.342
flat angles C4'-P-C4' energy: -60.600
flat angles P-C4'-P energy: -41.129
tors. eta vs tors. theta energy: -94.760
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: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1080.165143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.165143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.165143 (E_RNA)
where:
Base-Base interactions energy: -756.628
where: short stacking energy: -322.286
Base-Backbone interact. energy: -0.499
local terms energy: -323.038582
where:
bonds (distance) C4'-P energy: -54.725
bonds (distance) P-C4' energy: -66.818
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -39.935
tors. eta vs tors. theta energy: -93.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1013.427501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.427501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.427501 (E_RNA)
where:
Base-Base interactions energy: -706.210
where: short stacking energy: -318.895
Base-Backbone interact. energy: -0.571
local terms energy: -306.646493
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -51.738
flat angles C4'-P-C4' energy: -67.325
flat angles P-C4'-P energy: -39.300
tors. eta vs tors. theta energy: -88.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -955.197352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.197352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.197352 (E_RNA)
where:
Base-Base interactions energy: -671.209
where: short stacking energy: -280.690
Base-Backbone interact. energy: -2.197
local terms energy: -281.791444
where:
bonds (distance) C4'-P energy: -48.993
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -62.716
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: -79.598
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: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -932.739393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.739393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.739393 (E_RNA)
where:
Base-Base interactions energy: -655.930
where: short stacking energy: -268.871
Base-Backbone interact. energy: -1.343
local terms energy: -275.466146
where:
bonds (distance) C4'-P energy: -51.575
bonds (distance) P-C4' energy: -39.792
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -38.666
tors. eta vs tors. theta energy: -76.954
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: 7, replica: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -871.692689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.692689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.692689 (E_RNA)
where:
Base-Base interactions energy: -599.630
where: short stacking energy: -267.623
Base-Backbone interact. energy: 0.417
local terms energy: -272.479815
where:
bonds (distance) C4'-P energy: -55.477
bonds (distance) P-C4' energy: -54.343
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -61.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -670.360498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.360498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.360498 (E_RNA)
where:
Base-Base interactions energy: -432.374
where: short stacking energy: -206.726
Base-Backbone interact. energy: -0.164
local terms energy: -237.821823
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -58.605
flat angles C4'-P-C4' energy: -48.400
flat angles P-C4'-P energy: -35.766
tors. eta vs tors. theta energy: -49.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -520.349136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.349136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.349136 (E_RNA)
where:
Base-Base interactions energy: -312.775
where: short stacking energy: -160.715
Base-Backbone interact. energy: -1.538
local terms energy: -206.035927
where:
bonds (distance) C4'-P energy: -48.581
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -44.992
flat angles P-C4'-P energy: -24.115
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -409.450177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.450177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.450177 (E_RNA)
where:
Base-Base interactions energy: -232.884
where: short stacking energy: -146.775
Base-Backbone interact. energy: -0.184
local terms energy: -176.381996
where:
bonds (distance) C4'-P energy: -51.972
bonds (distance) P-C4' energy: -39.892
flat angles C4'-P-C4' energy: -45.012
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1129.657625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.657625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.657625 (E_RNA)
where:
Base-Base interactions energy: -794.480
where: short stacking energy: -341.359
Base-Backbone interact. energy: -1.322
local terms energy: -333.855260
where:
bonds (distance) C4'-P energy: -57.410
bonds (distance) P-C4' energy: -56.987
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -100.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1128.442562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.442562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.442562 (E_RNA)
where:
Base-Base interactions energy: -796.298
where: short stacking energy: -337.687
Base-Backbone interact. energy: -3.166
local terms energy: -328.978591
where:
bonds (distance) C4'-P energy: -58.300
bonds (distance) P-C4' energy: -58.827
flat angles C4'-P-C4' energy: -70.474
flat angles P-C4'-P energy: -50.528
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: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1076.959935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.959935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.959935 (E_RNA)
where:
Base-Base interactions energy: -754.958
where: short stacking energy: -320.743
Base-Backbone interact. energy: -2.475
local terms energy: -319.527079
where:
bonds (distance) C4'-P energy: -61.787
bonds (distance) P-C4' energy: -58.039
flat angles C4'-P-C4' energy: -66.484
flat angles P-C4'-P energy: -34.301
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1026.624990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.624990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.624990 (E_RNA)
where:
Base-Base interactions energy: -721.567
where: short stacking energy: -315.887
Base-Backbone interact. energy: -0.459
local terms energy: -304.598811
where:
bonds (distance) C4'-P energy: -62.019
bonds (distance) P-C4' energy: -51.833
flat angles C4'-P-C4' energy: -63.800
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -92.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -960.257616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.257616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.257616 (E_RNA)
where:
Base-Base interactions energy: -669.411
where: short stacking energy: -293.580
Base-Backbone interact. energy: -0.119
local terms energy: -290.728385
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -65.434
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: -80.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -861.677130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.677130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.677130 (E_RNA)
where:
Base-Base interactions energy: -588.880
where: short stacking energy: -264.830
Base-Backbone interact. energy: -0.504
local terms energy: -272.292941
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -53.666
flat angles C4'-P-C4' energy: -52.886
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -76.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -864.575575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.575575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.575575 (E_RNA)
where:
Base-Base interactions energy: -590.657
where: short stacking energy: -250.974
Base-Backbone interact. energy: -2.408
local terms energy: -271.509959
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -54.240
flat angles C4'-P-C4' energy: -54.406
flat angles P-C4'-P energy: -48.312
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: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -644.852154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.852154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.852154 (E_RNA)
where:
Base-Base interactions energy: -440.597
where: short stacking energy: -195.395
Base-Backbone interact. energy: -1.572
local terms energy: -202.683260
where:
bonds (distance) C4'-P energy: -51.328
bonds (distance) P-C4' energy: -38.997
flat angles C4'-P-C4' energy: -49.152
flat angles P-C4'-P energy: -28.810
tors. eta vs tors. theta energy: -34.396
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: 319
Temperature: 1.300000
Total energy: -526.587634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.587634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.587634 (E_RNA)
where:
Base-Base interactions energy: -341.422
where: short stacking energy: -159.995
Base-Backbone interact. energy: 0.210
local terms energy: -185.375279
where:
bonds (distance) C4'-P energy: -37.453
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -54.494
flat angles P-C4'-P energy: -22.065
tors. eta vs tors. theta energy: -29.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -411.708827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.708827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.708827 (E_RNA)
where:
Base-Base interactions energy: -229.427
where: short stacking energy: -137.040
Base-Backbone interact. energy: -1.123
local terms energy: -181.159127
where:
bonds (distance) C4'-P energy: -40.900
bonds (distance) P-C4' energy: -52.915
flat angles C4'-P-C4' energy: -38.547
flat angles P-C4'-P energy: -28.279
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1151.104390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.104390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.104390 (E_RNA)
where:
Base-Base interactions energy: -807.233
where: short stacking energy: -351.335
Base-Backbone interact. energy: -0.452
local terms energy: -343.419977
where:
bonds (distance) C4'-P energy: -66.703
bonds (distance) P-C4' energy: -62.614
flat angles C4'-P-C4' energy: -74.982
flat angles P-C4'-P energy: -46.052
tors. eta vs tors. theta energy: -93.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1134.734489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.734489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.734489 (E_RNA)
where:
Base-Base interactions energy: -815.450
where: short stacking energy: -341.110
Base-Backbone interact. energy: -1.975
local terms energy: -317.310126
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -61.249
flat angles C4'-P-C4' energy: -71.757
flat angles P-C4'-P energy: -35.055
tors. eta vs tors. theta energy: -93.516
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: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1074.917060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.917060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.917060 (E_RNA)
where:
Base-Base interactions energy: -750.624
where: short stacking energy: -315.037
Base-Backbone interact. energy: -0.885
local terms energy: -323.407481
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -65.449
flat angles C4'-P-C4' energy: -69.385
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -90.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1026.394601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.394601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.394601 (E_RNA)
where:
Base-Base interactions energy: -720.768
where: short stacking energy: -316.942
Base-Backbone interact. energy: -0.416
local terms energy: -305.210482
where:
bonds (distance) C4'-P energy: -49.432
bonds (distance) P-C4' energy: -51.402
flat angles C4'-P-C4' energy: -68.261
flat angles P-C4'-P energy: -42.348
tors. eta vs tors. theta energy: -93.768
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: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -978.211524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.211524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.211524 (E_RNA)
where:
Base-Base interactions energy: -677.511
where: short stacking energy: -277.449
Base-Backbone interact. energy: 0.305
local terms energy: -301.005213
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -64.150
flat angles P-C4'-P energy: -47.551
tors. eta vs tors. theta energy: -81.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -885.360859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.360859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.360859 (E_RNA)
where:
Base-Base interactions energy: -608.477
where: short stacking energy: -265.953
Base-Backbone interact. energy: -0.589
local terms energy: -276.295275
where:
bonds (distance) C4'-P energy: -51.918
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -55.038
flat angles P-C4'-P energy: -38.224
tors. eta vs tors. theta energy: -70.287
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: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -796.236847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.236847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.236847 (E_RNA)
where:
Base-Base interactions energy: -553.345
where: short stacking energy: -246.040
Base-Backbone interact. energy: -0.411
local terms energy: -242.481448
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -40.025
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -34.768
tors. eta vs tors. theta energy: -57.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -671.663815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.663815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.663815 (E_RNA)
where:
Base-Base interactions energy: -442.929
where: short stacking energy: -182.112
Base-Backbone interact. energy: -1.848
local terms energy: -226.887418
where:
bonds (distance) C4'-P energy: -41.913
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -63.483
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: -34.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -517.176457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.176457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.176457 (E_RNA)
where:
Base-Base interactions energy: -309.714
where: short stacking energy: -150.884
Base-Backbone interact. energy: 3.380
local terms energy: -210.842392
where:
bonds (distance) C4'-P energy: -35.164
bonds (distance) P-C4' energy: -54.389
flat angles C4'-P-C4' energy: -57.092
flat angles P-C4'-P energy: -36.916
tors. eta vs tors. theta energy: -27.280
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: 4
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -409.896271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.896271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.896271 (E_RNA)
where:
Base-Base interactions energy: -250.094
where: short stacking energy: -154.528
Base-Backbone interact. energy: -1.284
local terms energy: -158.517705
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -44.268
flat angles C4'-P-C4' energy: -33.423
flat angles P-C4'-P energy: -37.090
tors. eta vs tors. theta energy: -16.052
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: 3
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1128.806761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.806761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.806761 (E_RNA)
where:
Base-Base interactions energy: -794.669
where: short stacking energy: -319.249
Base-Backbone interact. energy: 0.398
local terms energy: -334.536206
where:
bonds (distance) C4'-P energy: -66.373
bonds (distance) P-C4' energy: -63.016
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -86.620
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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1091.365244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.365244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.365244 (E_RNA)
where:
Base-Base interactions energy: -780.816
where: short stacking energy: -321.716
Base-Backbone interact. energy: -0.166
local terms energy: -310.382607
where:
bonds (distance) C4'-P energy: -57.905
bonds (distance) P-C4' energy: -54.868
flat angles C4'-P-C4' energy: -70.100
flat angles P-C4'-P energy: -39.090
tors. eta vs tors. theta energy: -88.420
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: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1066.213658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.213658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.213658 (E_RNA)
where:
Base-Base interactions energy: -754.835
where: short stacking energy: -326.593
Base-Backbone interact. energy: -0.960
local terms energy: -310.418585
where:
bonds (distance) C4'-P energy: -56.168
bonds (distance) P-C4' energy: -65.091
flat angles C4'-P-C4' energy: -63.446
flat angles P-C4'-P energy: -41.651
tors. eta vs tors. theta energy: -84.063
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: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1046.040617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.040617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.040617 (E_RNA)
where:
Base-Base interactions energy: -735.277
where: short stacking energy: -317.957
Base-Backbone interact. energy: -1.442
local terms energy: -309.322308
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -56.128
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -89.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -975.516356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.516356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.516356 (E_RNA)
where:
Base-Base interactions energy: -688.613
where: short stacking energy: -283.594
Base-Backbone interact. energy: -2.132
local terms energy: -284.771301
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -58.112
flat angles C4'-P-C4' energy: -62.578
flat angles P-C4'-P energy: -34.900
tors. eta vs tors. theta energy: -71.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -891.318535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.318535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.318535 (E_RNA)
where:
Base-Base interactions energy: -629.026
where: short stacking energy: -266.124
Base-Backbone interact. energy: -0.904
local terms energy: -261.389171
where:
bonds (distance) C4'-P energy: -51.122
bonds (distance) P-C4' energy: -56.869
flat angles C4'-P-C4' energy: -49.660
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -71.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -781.756841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.756841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.756841 (E_RNA)
where:
Base-Base interactions energy: -537.117
where: short stacking energy: -230.816
Base-Backbone interact. energy: 0.757
local terms energy: -245.396726
where:
bonds (distance) C4'-P energy: -59.722
bonds (distance) P-C4' energy: -51.676
flat angles C4'-P-C4' energy: -62.099
flat angles P-C4'-P energy: -34.098
tors. eta vs tors. theta energy: -37.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -668.905033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.905033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.905033 (E_RNA)
where:
Base-Base interactions energy: -447.223
where: short stacking energy: -213.860
Base-Backbone interact. energy: 0.495
local terms energy: -222.177792
where:
bonds (distance) C4'-P energy: -57.622
bonds (distance) P-C4' energy: -51.294
flat angles C4'-P-C4' energy: -43.554
flat angles P-C4'-P energy: -30.583
tors. eta vs tors. theta energy: -39.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -513.633513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.633513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.633513 (E_RNA)
where:
Base-Base interactions energy: -325.443
where: short stacking energy: -152.364
Base-Backbone interact. energy: 0.159
local terms energy: -188.350020
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -47.000
flat angles P-C4'-P energy: -23.623
tors. eta vs tors. theta energy: -20.031
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: 4
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -411.239144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.239144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.239144 (E_RNA)
where:
Base-Base interactions energy: -215.533
where: short stacking energy: -128.136
Base-Backbone interact. energy: -1.310
local terms energy: -194.395286
where:
bonds (distance) C4'-P energy: -48.908
bonds (distance) P-C4' energy: -58.662
flat angles C4'-P-C4' energy: -44.204
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -7.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1121.490162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.490162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.490162 (E_RNA)
where:
Base-Base interactions energy: -800.615
where: short stacking energy: -320.727
Base-Backbone interact. energy: -0.545
local terms energy: -320.330157
where:
bonds (distance) C4'-P energy: -60.334
bonds (distance) P-C4' energy: -60.629
flat angles C4'-P-C4' energy: -70.737
flat angles P-C4'-P energy: -45.335
tors. eta vs tors. theta energy: -83.294
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: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1098.119847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.119847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.119847 (E_RNA)
where:
Base-Base interactions energy: -772.283
where: short stacking energy: -313.353
Base-Backbone interact. energy: -2.037
local terms energy: -323.799822
where:
bonds (distance) C4'-P energy: -61.959
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -70.664
flat angles P-C4'-P energy: -38.733
tors. eta vs tors. theta energy: -93.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1064.934794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.934794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.934794 (E_RNA)
where:
Base-Base interactions energy: -755.086
where: short stacking energy: -340.543
Base-Backbone interact. energy: -1.935
local terms energy: -307.913889
where:
bonds (distance) C4'-P energy: -46.200
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -67.175
flat angles P-C4'-P energy: -41.316
tors. eta vs tors. theta energy: -95.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1034.928747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.928747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.928747 (E_RNA)
where:
Base-Base interactions energy: -733.863
where: short stacking energy: -316.105
Base-Backbone interact. energy: -2.373
local terms energy: -298.692008
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -42.826
flat angles C4'-P-C4' energy: -72.148
flat angles P-C4'-P energy: -41.684
tors. eta vs tors. theta energy: -90.059
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: 10
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1002.587441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.587441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.587441 (E_RNA)
where:
Base-Base interactions energy: -716.909
where: short stacking energy: -298.013
Base-Backbone interact. energy: -0.999
local terms energy: -284.679689
where:
bonds (distance) C4'-P energy: -41.947
bonds (distance) P-C4' energy: -56.619
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -76.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -920.628720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.628720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.628720 (E_RNA)
where:
Base-Base interactions energy: -637.806
where: short stacking energy: -275.168
Base-Backbone interact. energy: -0.795
local terms energy: -282.027583
where:
bonds (distance) C4'-P energy: -44.515
bonds (distance) P-C4' energy: -51.717
flat angles C4'-P-C4' energy: -60.629
flat angles P-C4'-P energy: -46.722
tors. eta vs tors. theta energy: -78.444
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: 5
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -813.665721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.665721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.665721 (E_RNA)
where:
Base-Base interactions energy: -569.656
where: short stacking energy: -240.883
Base-Backbone interact. energy: -1.811
local terms energy: -242.198542
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -52.005
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -56.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -699.421226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.421226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.421226 (E_RNA)
where:
Base-Base interactions energy: -444.631
where: short stacking energy: -212.503
Base-Backbone interact. energy: 0.501
local terms energy: -255.291509
where:
bonds (distance) C4'-P energy: -56.638
bonds (distance) P-C4' energy: -56.240
flat angles C4'-P-C4' energy: -55.251
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: -54.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -473.899720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.899720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.899720 (E_RNA)
where:
Base-Base interactions energy: -269.567
where: short stacking energy: -132.888
Base-Backbone interact. energy: -2.287
local terms energy: -202.046561
where:
bonds (distance) C4'-P energy: -56.845
bonds (distance) P-C4' energy: -51.290
flat angles C4'-P-C4' energy: -46.393
flat angles P-C4'-P energy: -33.585
tors. eta vs tors. theta energy: -13.934
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: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -431.930074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.930074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.930074 (E_RNA)
where:
Base-Base interactions energy: -243.902
where: short stacking energy: -120.038
Base-Backbone interact. energy: 0.086
local terms energy: -188.114051
where:
bonds (distance) C4'-P energy: -51.581
bonds (distance) P-C4' energy: -47.576
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -33.896
tors. eta vs tors. theta energy: -4.956
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: 3
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1139.050244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.050244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.050244 (E_RNA)
where:
Base-Base interactions energy: -817.086
where: short stacking energy: -328.495
Base-Backbone interact. energy: -0.772
local terms energy: -321.192557
where:
bonds (distance) C4'-P energy: -57.884
bonds (distance) P-C4' energy: -69.085
flat angles C4'-P-C4' energy: -69.749
flat angles P-C4'-P energy: -38.897
tors. eta vs tors. theta energy: -85.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1098.272477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.272477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.272477 (E_RNA)
where:
Base-Base interactions energy: -787.341
where: short stacking energy: -336.661
Base-Backbone interact. energy: 1.075
local terms energy: -312.006964
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -59.488
flat angles C4'-P-C4' energy: -69.678
flat angles P-C4'-P energy: -32.932
tors. eta vs tors. theta energy: -95.565
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1082.573535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.573535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.573535 (E_RNA)
where:
Base-Base interactions energy: -763.662
where: short stacking energy: -323.770
Base-Backbone interact. energy: -0.634
local terms energy: -318.276746
where:
bonds (distance) C4'-P energy: -59.757
bonds (distance) P-C4' energy: -58.033
flat angles C4'-P-C4' energy: -67.946
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -94.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1017.413858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.413858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.413858 (E_RNA)
where:
Base-Base interactions energy: -704.994
where: short stacking energy: -313.134
Base-Backbone interact. energy: -1.810
local terms energy: -310.610105
where:
bonds (distance) C4'-P energy: -48.089
bonds (distance) P-C4' energy: -56.197
flat angles C4'-P-C4' energy: -71.784
flat angles P-C4'-P energy: -44.103
tors. eta vs tors. theta energy: -90.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -953.055176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.055176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.055176 (E_RNA)
where:
Base-Base interactions energy: -666.972
where: short stacking energy: -266.916
Base-Backbone interact. energy: -1.600
local terms energy: -284.482753
where:
bonds (distance) C4'-P energy: -52.019
bonds (distance) P-C4' energy: -60.113
flat angles C4'-P-C4' energy: -63.042
flat angles P-C4'-P energy: -37.757
tors. eta vs tors. theta energy: -71.552
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: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -908.875807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.875807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.875807 (E_RNA)
where:
Base-Base interactions energy: -604.565
where: short stacking energy: -277.080
Base-Backbone interact. energy: -1.303
local terms energy: -303.008277
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -59.802
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -35.522
tors. eta vs tors. theta energy: -84.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -804.106018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.106018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.106018 (E_RNA)
where:
Base-Base interactions energy: -558.841
where: short stacking energy: -243.439
Base-Backbone interact. energy: -0.360
local terms energy: -244.904568
where:
bonds (distance) C4'-P energy: -39.340
bonds (distance) P-C4' energy: -55.223
flat angles C4'-P-C4' energy: -63.663
flat angles P-C4'-P energy: -32.903
tors. eta vs tors. theta energy: -53.776
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: 8, replica: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -670.390058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.390058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.390058 (E_RNA)
where:
Base-Base interactions energy: -434.852
where: short stacking energy: -195.372
Base-Backbone interact. energy: -1.548
local terms energy: -233.989940
where:
bonds (distance) C4'-P energy: -55.796
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -50.539
flat angles P-C4'-P energy: -29.659
tors. eta vs tors. theta energy: -42.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -470.356335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.356335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.356335 (E_RNA)
where:
Base-Base interactions energy: -269.276
where: short stacking energy: -163.193
Base-Backbone interact. energy: -1.396
local terms energy: -199.684693
where:
bonds (distance) C4'-P energy: -36.871
bonds (distance) P-C4' energy: -51.081
flat angles C4'-P-C4' energy: -51.221
flat angles P-C4'-P energy: -30.272
tors. eta vs tors. theta energy: -30.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -412.795663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.795663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.795663 (E_RNA)
where:
Base-Base interactions energy: -212.018
where: short stacking energy: -126.859
Base-Backbone interact. energy: 1.643
local terms energy: -202.420791
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -49.765
flat angles C4'-P-C4' energy: -55.101
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -12.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1123.878879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.878879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.878879 (E_RNA)
where:
Base-Base interactions energy: -805.476
where: short stacking energy: -335.585
Base-Backbone interact. energy: 0.682
local terms energy: -319.084062
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -60.064
flat angles C4'-P-C4' energy: -71.877
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -91.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1109.048888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.048888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.048888 (E_RNA)
where:
Base-Base interactions energy: -787.933
where: short stacking energy: -318.405
Base-Backbone interact. energy: -1.538
local terms energy: -319.577314
where:
bonds (distance) C4'-P energy: -64.274
bonds (distance) P-C4' energy: -65.286
flat angles C4'-P-C4' energy: -67.601
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -82.443
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: 3, replica: 6
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1043.101680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.101680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.101680 (E_RNA)
where:
Base-Base interactions energy: -715.472
where: short stacking energy: -333.787
Base-Backbone interact. energy: -1.911
local terms energy: -325.719224
where:
bonds (distance) C4'-P energy: -57.352
bonds (distance) P-C4' energy: -61.754
flat angles C4'-P-C4' energy: -67.582
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: -91.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1044.228256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.228256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.228256 (E_RNA)
where:
Base-Base interactions energy: -732.665
where: short stacking energy: -311.545
Base-Backbone interact. energy: -1.643
local terms energy: -309.920183
where:
bonds (distance) C4'-P energy: -63.359
bonds (distance) P-C4' energy: -45.809
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -53.628
tors. eta vs tors. theta energy: -88.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -932.456481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.456481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.456481 (E_RNA)
where:
Base-Base interactions energy: -632.894
where: short stacking energy: -283.936
Base-Backbone interact. energy: -0.636
local terms energy: -298.925782
where:
bonds (distance) C4'-P energy: -61.092
bonds (distance) P-C4' energy: -62.333
flat angles C4'-P-C4' energy: -60.371
flat angles P-C4'-P energy: -37.275
tors. eta vs tors. theta energy: -77.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -952.232707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.232707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.232707 (E_RNA)
where:
Base-Base interactions energy: -655.659
where: short stacking energy: -264.784
Base-Backbone interact. energy: -3.237
local terms energy: -293.336990
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -54.328
flat angles C4'-P-C4' energy: -57.555
flat angles P-C4'-P energy: -48.937
tors. eta vs tors. theta energy: -81.067
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: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -862.093201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.093201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.093201 (E_RNA)
where:
Base-Base interactions energy: -603.639
where: short stacking energy: -252.503
Base-Backbone interact. energy: -0.476
local terms energy: -257.978716
where:
bonds (distance) C4'-P energy: -53.423
bonds (distance) P-C4' energy: -54.339
flat angles C4'-P-C4' energy: -50.367
flat angles P-C4'-P energy: -29.213
tors. eta vs tors. theta energy: -70.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -696.207718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.207718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.207718 (E_RNA)
where:
Base-Base interactions energy: -448.113
where: short stacking energy: -203.262
Base-Backbone interact. energy: -2.127
local terms energy: -245.968038
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -38.660
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: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -432.986481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.986481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.986481 (E_RNA)
where:
Base-Base interactions energy: -240.688
where: short stacking energy: -135.792
Base-Backbone interact. energy: -1.113
local terms energy: -191.184887
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -46.622
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -31.770
tors. eta vs tors. theta energy: -22.238
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: 324
Temperature: 1.350000
Total energy: -423.134254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.134254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.134254 (E_RNA)
where:
Base-Base interactions energy: -253.611
where: short stacking energy: -121.493
Base-Backbone interact. energy: 0.098
local terms energy: -169.620513
where:
bonds (distance) C4'-P energy: -51.165
bonds (distance) P-C4' energy: -43.387
flat angles C4'-P-C4' energy: -37.544
flat angles P-C4'-P energy: -26.433
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1131.549647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.549647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.549647 (E_RNA)
where:
Base-Base interactions energy: -811.942
where: short stacking energy: -338.337
Base-Backbone interact. energy: -1.239
local terms energy: -318.369080
where:
bonds (distance) C4'-P energy: -59.833
bonds (distance) P-C4' energy: -52.909
flat angles C4'-P-C4' energy: -64.798
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -97.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1089.995230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.995230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.995230 (E_RNA)
where:
Base-Base interactions energy: -760.703
where: short stacking energy: -327.004
Base-Backbone interact. energy: -1.634
local terms energy: -327.657829
where:
bonds (distance) C4'-P energy: -61.923
bonds (distance) P-C4' energy: -56.316
flat angles C4'-P-C4' energy: -71.058
flat angles P-C4'-P energy: -51.979
tors. eta vs tors. theta energy: -86.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1063.086921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.086921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.086921 (E_RNA)
where:
Base-Base interactions energy: -764.306
where: short stacking energy: -331.957
Base-Backbone interact. energy: -1.156
local terms energy: -297.624380
where:
bonds (distance) C4'-P energy: -56.649
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -28.865
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: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1045.165815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.165815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.165815 (E_RNA)
where:
Base-Base interactions energy: -746.458
where: short stacking energy: -320.875
Base-Backbone interact. energy: -1.749
local terms energy: -296.959087
where:
bonds (distance) C4'-P energy: -54.595
bonds (distance) P-C4' energy: -40.621
flat angles C4'-P-C4' energy: -72.833
flat angles P-C4'-P energy: -36.538
tors. eta vs tors. theta energy: -92.372
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: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -937.562846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.562846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.562846 (E_RNA)
where:
Base-Base interactions energy: -646.592
where: short stacking energy: -281.024
Base-Backbone interact. energy: -0.769
local terms energy: -290.201525
where:
bonds (distance) C4'-P energy: -46.047
bonds (distance) P-C4' energy: -62.449
flat angles C4'-P-C4' energy: -66.855
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -79.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -937.485590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.485590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.485590 (E_RNA)
where:
Base-Base interactions energy: -651.585
where: short stacking energy: -278.493
Base-Backbone interact. energy: -0.025
local terms energy: -285.876369
where:
bonds (distance) C4'-P energy: -41.943
bonds (distance) P-C4' energy: -61.317
flat angles C4'-P-C4' energy: -66.832
flat angles P-C4'-P energy: -34.029
tors. eta vs tors. theta energy: -81.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -872.461685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.461685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.461685 (E_RNA)
where:
Base-Base interactions energy: -610.856
where: short stacking energy: -245.692
Base-Backbone interact. energy: -1.270
local terms energy: -260.335155
where:
bonds (distance) C4'-P energy: -50.207
bonds (distance) P-C4' energy: -47.994
flat angles C4'-P-C4' energy: -58.435
flat angles P-C4'-P energy: -28.117
tors. eta vs tors. theta energy: -75.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -680.796494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.796494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.796494 (E_RNA)
where:
Base-Base interactions energy: -451.677
where: short stacking energy: -185.899
Base-Backbone interact. energy: -1.473
local terms energy: -227.645649
where:
bonds (distance) C4'-P energy: -49.794
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -48.961
flat angles P-C4'-P energy: -42.438
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: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -483.675941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.675941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.675941 (E_RNA)
where:
Base-Base interactions energy: -289.271
where: short stacking energy: -159.699
Base-Backbone interact. energy: -2.403
local terms energy: -192.002229
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -46.384
flat angles C4'-P-C4' energy: -47.383
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -455.347103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.347103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.347103 (E_RNA)
where:
Base-Base interactions energy: -274.003
where: short stacking energy: -129.525
Base-Backbone interact. energy: 0.742
local terms energy: -182.086613
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -40.553
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -16.516
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1112.017587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.017587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.017587 (E_RNA)
where:
Base-Base interactions energy: -787.126
where: short stacking energy: -328.201
Base-Backbone interact. energy: -1.212
local terms energy: -323.680045
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -60.143
flat angles C4'-P-C4' energy: -63.905
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -94.278
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: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1096.389028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.389028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.389028 (E_RNA)
where:
Base-Base interactions energy: -773.315
where: short stacking energy: -319.004
Base-Backbone interact. energy: -2.038
local terms energy: -321.035989
where:
bonds (distance) C4'-P energy: -61.248
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -65.249
flat angles P-C4'-P energy: -42.923
tors. eta vs tors. theta energy: -91.431
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: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1074.939084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.939084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.939084 (E_RNA)
where:
Base-Base interactions energy: -753.226
where: short stacking energy: -317.144
Base-Backbone interact. energy: -2.698
local terms energy: -319.015128
where:
bonds (distance) C4'-P energy: -65.891
bonds (distance) P-C4' energy: -51.502
flat angles C4'-P-C4' energy: -67.680
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -90.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1014.128489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.128489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.128489 (E_RNA)
where:
Base-Base interactions energy: -693.549
where: short stacking energy: -288.142
Base-Backbone interact. energy: -2.701
local terms energy: -317.878126
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -59.611
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -49.217
tors. eta vs tors. theta energy: -86.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -939.134439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.134439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.134439 (E_RNA)
where:
Base-Base interactions energy: -646.334
where: short stacking energy: -293.472
Base-Backbone interact. energy: -1.824
local terms energy: -290.977256
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -83.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -945.233714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.233714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.233714 (E_RNA)
where:
Base-Base interactions energy: -662.154
where: short stacking energy: -284.016
Base-Backbone interact. energy: 1.991
local terms energy: -285.070750
where:
bonds (distance) C4'-P energy: -53.855
bonds (distance) P-C4' energy: -57.595
flat angles C4'-P-C4' energy: -65.571
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -76.754
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: 5
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -919.718870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.718870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.718870 (E_RNA)
where:
Base-Base interactions energy: -656.053
where: short stacking energy: -296.550
Base-Backbone interact. energy: -1.037
local terms energy: -262.629126
where:
bonds (distance) C4'-P energy: -46.848
bonds (distance) P-C4' energy: -53.034
flat angles C4'-P-C4' energy: -51.600
flat angles P-C4'-P energy: -28.546
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: 8, replica: 8
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -663.975545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.975545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.975545 (E_RNA)
where:
Base-Base interactions energy: -424.207
where: short stacking energy: -174.968
Base-Backbone interact. energy: -1.671
local terms energy: -238.097944
where:
bonds (distance) C4'-P energy: -46.764
bonds (distance) P-C4' energy: -52.646
flat angles C4'-P-C4' energy: -53.870
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -47.855
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: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -463.665188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.665188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.665188 (E_RNA)
where:
Base-Base interactions energy: -266.177
where: short stacking energy: -138.763
Base-Backbone interact. energy: -0.624
local terms energy: -196.864391
where:
bonds (distance) C4'-P energy: -59.740
bonds (distance) P-C4' energy: -45.547
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -394.084237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.084237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.084237 (E_RNA)
where:
Base-Base interactions energy: -236.155
where: short stacking energy: -120.811
Base-Backbone interact. energy: -2.797
local terms energy: -155.132787
where:
bonds (distance) C4'-P energy: -36.552
bonds (distance) P-C4' energy: -51.924
flat angles C4'-P-C4' energy: -40.276
flat angles P-C4'-P energy: -21.104
tors. eta vs tors. theta energy: -5.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1123.341888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.341888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.341888 (E_RNA)
where:
Base-Base interactions energy: -791.497
where: short stacking energy: -328.244
Base-Backbone interact. energy: -1.062
local terms energy: -330.782866
where:
bonds (distance) C4'-P energy: -68.992
bonds (distance) P-C4' energy: -58.992
flat angles C4'-P-C4' energy: -65.928
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -98.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1098.142484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.142484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.142484 (E_RNA)
where:
Base-Base interactions energy: -768.589
where: short stacking energy: -339.246
Base-Backbone interact. energy: -1.013
local terms energy: -328.540828
where:
bonds (distance) C4'-P energy: -63.244
bonds (distance) P-C4' energy: -61.891
flat angles C4'-P-C4' energy: -69.592
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -91.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1076.724506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.724506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.724506 (E_RNA)
where:
Base-Base interactions energy: -745.623
where: short stacking energy: -331.622
Base-Backbone interact. energy: -1.682
local terms energy: -329.419877
where:
bonds (distance) C4'-P energy: -46.883
bonds (distance) P-C4' energy: -62.004
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -51.696
tors. eta vs tors. theta energy: -98.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1031.986096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.986096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.986096 (E_RNA)
where:
Base-Base interactions energy: -730.140
where: short stacking energy: -315.432
Base-Backbone interact. energy: -2.198
local terms energy: -299.648317
where:
bonds (distance) C4'-P energy: -49.893
bonds (distance) P-C4' energy: -49.807
flat angles C4'-P-C4' energy: -67.236
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -92.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -940.304923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.304923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.304923 (E_RNA)
where:
Base-Base interactions energy: -629.744
where: short stacking energy: -277.326
Base-Backbone interact. energy: -1.791
local terms energy: -308.769746
where:
bonds (distance) C4'-P energy: -48.459
bonds (distance) P-C4' energy: -64.031
flat angles C4'-P-C4' energy: -73.393
flat angles P-C4'-P energy: -44.904
tors. eta vs tors. theta energy: -77.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -927.205710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.205710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.205710 (E_RNA)
where:
Base-Base interactions energy: -664.695
where: short stacking energy: -266.134
Base-Backbone interact. energy: 0.060
local terms energy: -262.571041
where:
bonds (distance) C4'-P energy: -47.645
bonds (distance) P-C4' energy: -57.049
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -35.797
tors. eta vs tors. theta energy: -72.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -928.503023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.503023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.503023 (E_RNA)
where:
Base-Base interactions energy: -657.368
where: short stacking energy: -279.248
Base-Backbone interact. energy: 0.112
local terms energy: -271.246992
where:
bonds (distance) C4'-P energy: -48.247
bonds (distance) P-C4' energy: -45.311
flat angles C4'-P-C4' energy: -55.590
flat angles P-C4'-P energy: -43.167
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: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -692.761997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.761997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.761997 (E_RNA)
where:
Base-Base interactions energy: -462.358
where: short stacking energy: -183.482
Base-Backbone interact. energy: -1.728
local terms energy: -228.676590
where:
bonds (distance) C4'-P energy: -43.702
bonds (distance) P-C4' energy: -61.786
flat angles C4'-P-C4' energy: -51.723
flat angles P-C4'-P energy: -33.051
tors. eta vs tors. theta energy: -38.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -438.713062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.713062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.713062 (E_RNA)
where:
Base-Base interactions energy: -230.068
where: short stacking energy: -112.007
Base-Backbone interact. energy: -0.538
local terms energy: -208.106314
where:
bonds (distance) C4'-P energy: -55.774
bonds (distance) P-C4' energy: -49.258
flat angles C4'-P-C4' energy: -45.942
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -427.698383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.698383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.698383 (E_RNA)
where:
Base-Base interactions energy: -237.218
where: short stacking energy: -128.575
Base-Backbone interact. energy: -1.407
local terms energy: -189.072992
where:
bonds (distance) C4'-P energy: -53.469
bonds (distance) P-C4' energy: -48.171
flat angles C4'-P-C4' energy: -42.889
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1137.621121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.621121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.621121 (E_RNA)
where:
Base-Base interactions energy: -789.814
where: short stacking energy: -337.536
Base-Backbone interact. energy: -3.337
local terms energy: -344.469616
where:
bonds (distance) C4'-P energy: -59.036
bonds (distance) P-C4' energy: -66.630
flat angles C4'-P-C4' energy: -75.354
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -90.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1103.239908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.239908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.239908 (E_RNA)
where:
Base-Base interactions energy: -773.750
where: short stacking energy: -325.903
Base-Backbone interact. energy: -1.368
local terms energy: -328.122019
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -57.311
flat angles C4'-P-C4' energy: -76.509
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -90.628
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: 3, replica: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1084.701669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.701669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.701669 (E_RNA)
where:
Base-Base interactions energy: -756.606
where: short stacking energy: -306.383
Base-Backbone interact. energy: -0.771
local terms energy: -327.324553
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -65.843
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -92.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1019.762220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.762220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.762220 (E_RNA)
where:
Base-Base interactions energy: -706.439
where: short stacking energy: -293.292
Base-Backbone interact. energy: -0.395
local terms energy: -312.928926
where:
bonds (distance) C4'-P energy: -58.141
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -63.203
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -84.208
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -989.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.359970 (E_RNA)
where:
Base-Base interactions energy: -698.923
where: short stacking energy: -299.666
Base-Backbone interact. energy: -1.556
local terms energy: -288.880310
where:
bonds (distance) C4'-P energy: -55.150
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -64.359
flat angles P-C4'-P energy: -33.356
tors. eta vs tors. theta energy: -80.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -905.457355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.457355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.457355 (E_RNA)
where:
Base-Base interactions energy: -607.618
where: short stacking energy: -265.545
Base-Backbone interact. energy: -0.378
local terms energy: -297.462284
where:
bonds (distance) C4'-P energy: -57.864
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -62.676
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -72.137
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: 328
Temperature: 1.200000
Total energy: -859.270414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.270414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.270414 (E_RNA)
where:
Base-Base interactions energy: -598.678
where: short stacking energy: -257.928
Base-Backbone interact. energy: -1.654
local terms energy: -258.938504
where:
bonds (distance) C4'-P energy: -40.441
bonds (distance) P-C4' energy: -55.109
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -46.290
tors. eta vs tors. theta energy: -58.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -675.434874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.434874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.434874 (E_RNA)
where:
Base-Base interactions energy: -454.077
where: short stacking energy: -194.412
Base-Backbone interact. energy: -0.609
local terms energy: -220.748982
where:
bonds (distance) C4'-P energy: -47.861
bonds (distance) P-C4' energy: -46.841
flat angles C4'-P-C4' energy: -49.551
flat angles P-C4'-P energy: -36.478
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: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -423.672735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.672735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.672735 (E_RNA)
where:
Base-Base interactions energy: -237.641
where: short stacking energy: -112.307
Base-Backbone interact. energy: -1.009
local terms energy: -185.023246
where:
bonds (distance) C4'-P energy: -47.371
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -20.563
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: 10, replica: 4
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -411.175679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.175679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.175679 (E_RNA)
where:
Base-Base interactions energy: -228.345
where: short stacking energy: -133.854
Base-Backbone interact. energy: -0.118
local terms energy: -182.711976
where:
bonds (distance) C4'-P energy: -51.025
bonds (distance) P-C4' energy: -47.126
flat angles C4'-P-C4' energy: -33.208
flat angles P-C4'-P energy: -32.916
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1118.976461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.976461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.976461 (E_RNA)
where:
Base-Base interactions energy: -776.571
where: short stacking energy: -349.307
Base-Backbone interact. energy: -2.619
local terms energy: -339.786189
where:
bonds (distance) C4'-P energy: -53.489
bonds (distance) P-C4' energy: -66.477
flat angles C4'-P-C4' energy: -73.381
flat angles P-C4'-P energy: -50.488
tors. eta vs tors. theta energy: -95.951
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: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1117.068424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.068424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.068424 (E_RNA)
where:
Base-Base interactions energy: -801.099
where: short stacking energy: -334.338
Base-Backbone interact. energy: -1.603
local terms energy: -314.366401
where:
bonds (distance) C4'-P energy: -50.320
bonds (distance) P-C4' energy: -49.619
flat angles C4'-P-C4' energy: -68.863
flat angles P-C4'-P energy: -46.489
tors. eta vs tors. theta energy: -99.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1108.551046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.551046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.551046 (E_RNA)
where:
Base-Base interactions energy: -792.268
where: short stacking energy: -330.216
Base-Backbone interact. energy: 1.703
local terms energy: -317.985896
where:
bonds (distance) C4'-P energy: -56.479
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -69.870
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -92.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1043.169244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.169244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.169244 (E_RNA)
where:
Base-Base interactions energy: -715.023
where: short stacking energy: -317.313
Base-Backbone interact. energy: -1.120
local terms energy: -327.026274
where:
bonds (distance) C4'-P energy: -62.259
bonds (distance) P-C4' energy: -69.216
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -35.453
tors. eta vs tors. theta energy: -90.677
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: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -989.942600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.942600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.942600 (E_RNA)
where:
Base-Base interactions energy: -708.743
where: short stacking energy: -298.723
Base-Backbone interact. energy: -1.546
local terms energy: -279.653837
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -61.169
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -75.243
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: 9
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -902.946185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.946185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.946185 (E_RNA)
where:
Base-Base interactions energy: -614.601
where: short stacking energy: -279.142
Base-Backbone interact. energy: -3.001
local terms energy: -285.343507
where:
bonds (distance) C4'-P energy: -59.110
bonds (distance) P-C4' energy: -54.143
flat angles C4'-P-C4' energy: -62.964
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -69.590
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: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -865.702306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.702306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.702306 (E_RNA)
where:
Base-Base interactions energy: -603.565
where: short stacking energy: -253.813
Base-Backbone interact. energy: 1.509
local terms energy: -263.645510
where:
bonds (distance) C4'-P energy: -43.689
bonds (distance) P-C4' energy: -59.847
flat angles C4'-P-C4' energy: -51.660
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: -65.684
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: 8, replica: 8
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -715.020862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.020862 (E_RNA)
where:
Base-Base interactions energy: -452.056
where: short stacking energy: -205.215
Base-Backbone interact. energy: 3.509
local terms energy: -266.474166
where:
bonds (distance) C4'-P energy: -59.168
bonds (distance) P-C4' energy: -62.988
flat angles C4'-P-C4' energy: -57.390
flat angles P-C4'-P energy: -37.996
tors. eta vs tors. theta energy: -48.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -434.720343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.720343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.720343 (E_RNA)
where:
Base-Base interactions energy: -257.590
where: short stacking energy: -135.493
Base-Backbone interact. energy: -1.069
local terms energy: -176.060970
where:
bonds (distance) C4'-P energy: -38.599
bonds (distance) P-C4' energy: -42.117
flat angles C4'-P-C4' energy: -45.555
flat angles P-C4'-P energy: -25.055
tors. eta vs tors. theta energy: -24.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -426.838987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.838987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.838987 (E_RNA)
where:
Base-Base interactions energy: -229.447
where: short stacking energy: -123.778
Base-Backbone interact. energy: -1.279
local terms energy: -196.112880
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -56.981
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -39.334
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1118.218315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.218315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.218315 (E_RNA)
where:
Base-Base interactions energy: -779.053
where: short stacking energy: -344.710
Base-Backbone interact. energy: -0.725
local terms energy: -338.441161
where:
bonds (distance) C4'-P energy: -57.748
bonds (distance) P-C4' energy: -63.034
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -47.590
tors. eta vs tors. theta energy: -98.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1125.037237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.037237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.037237 (E_RNA)
where:
Base-Base interactions energy: -794.919
where: short stacking energy: -330.374
Base-Backbone interact. energy: -0.147
local terms energy: -329.971104
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -68.451
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: -92.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1093.536534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.536534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.536534 (E_RNA)
where:
Base-Base interactions energy: -761.397
where: short stacking energy: -315.988
Base-Backbone interact. energy: -0.554
local terms energy: -331.585582
where:
bonds (distance) C4'-P energy: -63.254
bonds (distance) P-C4' energy: -54.047
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -52.498
tors. eta vs tors. theta energy: -92.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1043.233309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.233309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.233309 (E_RNA)
where:
Base-Base interactions energy: -724.264
where: short stacking energy: -305.262
Base-Backbone interact. energy: 0.318
local terms energy: -319.287386
where:
bonds (distance) C4'-P energy: -56.573
bonds (distance) P-C4' energy: -59.757
flat angles C4'-P-C4' energy: -62.838
flat angles P-C4'-P energy: -44.779
tors. eta vs tors. theta energy: -95.340
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -976.699868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.699868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.699868 (E_RNA)
where:
Base-Base interactions energy: -688.223
where: short stacking energy: -298.722
Base-Backbone interact. energy: -0.976
local terms energy: -287.501166
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -53.428
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -31.894
tors. eta vs tors. theta energy: -81.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -894.271181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.271181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.271181 (E_RNA)
where:
Base-Base interactions energy: -614.347
where: short stacking energy: -258.317
Base-Backbone interact. energy: -0.147
local terms energy: -279.777027
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -58.169
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -38.677
tors. eta vs tors. theta energy: -68.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -880.814128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.814128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.814128 (E_RNA)
where:
Base-Base interactions energy: -625.992
where: short stacking energy: -269.210
Base-Backbone interact. energy: -0.758
local terms energy: -254.064075
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -51.937
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -74.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -678.421070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.421070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.421070 (E_RNA)
where:
Base-Base interactions energy: -472.919
where: short stacking energy: -224.895
Base-Backbone interact. energy: 3.937
local terms energy: -209.438672
where:
bonds (distance) C4'-P energy: -46.776
bonds (distance) P-C4' energy: -30.794
flat angles C4'-P-C4' energy: -50.450
flat angles P-C4'-P energy: -40.521
tors. eta vs tors. theta energy: -40.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -417.568189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.568189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.568189 (E_RNA)
where:
Base-Base interactions energy: -224.495
where: short stacking energy: -129.255
Base-Backbone interact. energy: -1.712
local terms energy: -191.361358
where:
bonds (distance) C4'-P energy: -45.576
bonds (distance) P-C4' energy: -54.801
flat angles C4'-P-C4' energy: -41.313
flat angles P-C4'-P energy: -30.932
tors. eta vs tors. theta energy: -18.739
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: 4
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -414.094888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.094888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.094888 (E_RNA)
where:
Base-Base interactions energy: -226.902
where: short stacking energy: -120.882
Base-Backbone interact. energy: -1.605
local terms energy: -185.587723
where:
bonds (distance) C4'-P energy: -42.394
bonds (distance) P-C4' energy: -55.140
flat angles C4'-P-C4' energy: -53.286
flat angles P-C4'-P energy: -21.021
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1128.893539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.893539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.893539 (E_RNA)
where:
Base-Base interactions energy: -779.698
where: short stacking energy: -339.484
Base-Backbone interact. energy: -1.371
local terms energy: -347.824418
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -58.465
flat angles C4'-P-C4' energy: -71.844
flat angles P-C4'-P energy: -52.406
tors. eta vs tors. theta energy: -104.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1101.490630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.490630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.490630 (E_RNA)
where:
Base-Base interactions energy: -778.091
where: short stacking energy: -341.370
Base-Backbone interact. energy: -1.065
local terms energy: -322.334240
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -52.933
flat angles C4'-P-C4' energy: -72.895
flat angles P-C4'-P energy: -49.435
tors. eta vs tors. theta energy: -92.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1090.876141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.876141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.876141 (E_RNA)
where:
Base-Base interactions energy: -783.331
where: short stacking energy: -323.418
Base-Backbone interact. energy: -1.381
local terms energy: -306.163737
where:
bonds (distance) C4'-P energy: -59.774
bonds (distance) P-C4' energy: -53.002
flat angles C4'-P-C4' energy: -64.853
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -93.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -986.939707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.939707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.939707 (E_RNA)
where:
Base-Base interactions energy: -682.389
where: short stacking energy: -282.603
Base-Backbone interact. energy: 0.721
local terms energy: -305.272303
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -64.038
flat angles C4'-P-C4' energy: -64.038
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -86.146
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: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1006.927070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.927070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.927070 (E_RNA)
where:
Base-Base interactions energy: -708.663
where: short stacking energy: -306.034
Base-Backbone interact. energy: -1.242
local terms energy: -297.022650
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -41.344
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -43.446
tors. eta vs tors. theta energy: -86.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -900.741166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.741166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.741166 (E_RNA)
where:
Base-Base interactions energy: -630.389
where: short stacking energy: -274.528
Base-Backbone interact. energy: -0.565
local terms energy: -269.786856
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -55.377
flat angles C4'-P-C4' energy: -59.416
flat angles P-C4'-P energy: -37.985
tors. eta vs tors. theta energy: -69.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -858.015854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.015854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.015854 (E_RNA)
where:
Base-Base interactions energy: -574.964
where: short stacking energy: -259.484
Base-Backbone interact. energy: -0.740
local terms energy: -282.312325
where:
bonds (distance) C4'-P energy: -47.134
bonds (distance) P-C4' energy: -63.042
flat angles C4'-P-C4' energy: -59.493
flat angles P-C4'-P energy: -47.927
tors. eta vs tors. theta energy: -64.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -670.789477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.789477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.789477 (E_RNA)
where:
Base-Base interactions energy: -421.763
where: short stacking energy: -187.790
Base-Backbone interact. energy: -0.943
local terms energy: -248.083433
where:
bonds (distance) C4'-P energy: -55.930
bonds (distance) P-C4' energy: -57.441
flat angles C4'-P-C4' energy: -60.988
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -40.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -415.812847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.812847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.812847 (E_RNA)
where:
Base-Base interactions energy: -232.968
where: short stacking energy: -138.496
Base-Backbone interact. energy: 3.998
local terms energy: -186.843635
where:
bonds (distance) C4'-P energy: -34.987
bonds (distance) P-C4' energy: -60.287
flat angles C4'-P-C4' energy: -43.625
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -25.053
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: 4
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -452.884229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.884229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.884229 (E_RNA)
where:
Base-Base interactions energy: -273.341
where: short stacking energy: -142.551
Base-Backbone interact. energy: 1.538
local terms energy: -181.081241
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -38.482
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -28.383
tors. eta vs tors. theta energy: -18.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1109.016224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.016224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.016224 (E_RNA)
where:
Base-Base interactions energy: -780.389
where: short stacking energy: -334.069
Base-Backbone interact. energy: 0.011
local terms energy: -328.637574
where:
bonds (distance) C4'-P energy: -57.305
bonds (distance) P-C4' energy: -55.607
flat angles C4'-P-C4' energy: -67.478
flat angles P-C4'-P energy: -49.348
tors. eta vs tors. theta energy: -98.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1098.275347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.275347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.275347 (E_RNA)
where:
Base-Base interactions energy: -768.629
where: short stacking energy: -326.830
Base-Backbone interact. energy: -0.433
local terms energy: -329.213302
where:
bonds (distance) C4'-P energy: -54.913
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -50.965
tors. eta vs tors. theta energy: -92.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1095.222875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.222875 (E_RNA)
where:
Base-Base interactions energy: -768.897
where: short stacking energy: -317.906
Base-Backbone interact. energy: -2.008
local terms energy: -324.318253
where:
bonds (distance) C4'-P energy: -60.731
bonds (distance) P-C4' energy: -64.837
flat angles C4'-P-C4' energy: -69.785
flat angles P-C4'-P energy: -35.184
tors. eta vs tors. theta energy: -93.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -982.556100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.556100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.556100 (E_RNA)
where:
Base-Base interactions energy: -683.670
where: short stacking energy: -288.721
Base-Backbone interact. energy: 1.065
local terms energy: -299.951482
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -57.996
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -47.117
tors. eta vs tors. theta energy: -78.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1030.027530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.027530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.027530 (E_RNA)
where:
Base-Base interactions energy: -712.302
where: short stacking energy: -295.134
Base-Backbone interact. energy: -0.744
local terms energy: -316.980646
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -61.987
flat angles C4'-P-C4' energy: -69.918
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -89.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -892.972289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.972289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.972289 (E_RNA)
where:
Base-Base interactions energy: -630.195
where: short stacking energy: -263.714
Base-Backbone interact. energy: -1.204
local terms energy: -261.573334
where:
bonds (distance) C4'-P energy: -51.173
bonds (distance) P-C4' energy: -57.382
flat angles C4'-P-C4' energy: -60.733
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -56.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -847.709210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.709210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.709210 (E_RNA)
where:
Base-Base interactions energy: -580.835
where: short stacking energy: -263.943
Base-Backbone interact. energy: -0.456
local terms energy: -266.418937
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -40.251
tors. eta vs tors. theta energy: -72.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -600.249309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.249309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.249309 (E_RNA)
where:
Base-Base interactions energy: -397.358
where: short stacking energy: -180.446
Base-Backbone interact. energy: 1.206
local terms energy: -204.097122
where:
bonds (distance) C4'-P energy: -40.482
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -60.080
flat angles P-C4'-P energy: -19.940
tors. eta vs tors. theta energy: -31.570
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: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -411.604915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.604915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.604915 (E_RNA)
where:
Base-Base interactions energy: -236.135
where: short stacking energy: -114.511
Base-Backbone interact. energy: -0.694
local terms energy: -174.775814
where:
bonds (distance) C4'-P energy: -57.774
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -36.615
flat angles P-C4'-P energy: -38.236
tors. eta vs tors. theta energy: 0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -420.366669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.366669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.366669 (E_RNA)
where:
Base-Base interactions energy: -250.351
where: short stacking energy: -125.877
Base-Backbone interact. energy: 3.269
local terms energy: -173.284978
where:
bonds (distance) C4'-P energy: -46.604
bonds (distance) P-C4' energy: -40.872
flat angles C4'-P-C4' energy: -44.535
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1103.677083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.677083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.677083 (E_RNA)
where:
Base-Base interactions energy: -782.336
where: short stacking energy: -322.501
Base-Backbone interact. energy: -3.375
local terms energy: -317.966320
where:
bonds (distance) C4'-P energy: -59.909
bonds (distance) P-C4' energy: -64.539
flat angles C4'-P-C4' energy: -63.818
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -88.565
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: 2, replica: 1
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1113.201319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.201319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.201319 (E_RNA)
where:
Base-Base interactions energy: -795.191
where: short stacking energy: -340.828
Base-Backbone interact. energy: -0.871
local terms energy: -317.138776
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -58.752
flat angles C4'-P-C4' energy: -69.274
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -95.813
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1065.595119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.595119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.595119 (E_RNA)
where:
Base-Base interactions energy: -751.226
where: short stacking energy: -328.048
Base-Backbone interact. energy: -0.895
local terms energy: -313.474188
where:
bonds (distance) C4'-P energy: -65.249
bonds (distance) P-C4' energy: -46.508
flat angles C4'-P-C4' energy: -69.506
flat angles P-C4'-P energy: -34.470
tors. eta vs tors. theta energy: -97.742
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: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1058.645207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.645207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.645207 (E_RNA)
where:
Base-Base interactions energy: -739.503
where: short stacking energy: -305.614
Base-Backbone interact. energy: -1.363
local terms energy: -317.779031
where:
bonds (distance) C4'-P energy: -60.514
bonds (distance) P-C4' energy: -56.712
flat angles C4'-P-C4' energy: -60.425
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -94.213
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -993.448405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.448405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.448405 (E_RNA)
where:
Base-Base interactions energy: -689.477
where: short stacking energy: -306.242
Base-Backbone interact. energy: -0.883
local terms energy: -303.088977
where:
bonds (distance) C4'-P energy: -52.055
bonds (distance) P-C4' energy: -55.756
flat angles C4'-P-C4' energy: -70.693
flat angles P-C4'-P energy: -39.124
tors. eta vs tors. theta energy: -85.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -896.105049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.105049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.105049 (E_RNA)
where:
Base-Base interactions energy: -606.255
where: short stacking energy: -254.634
Base-Backbone interact. energy: 0.664
local terms energy: -290.513874
where:
bonds (distance) C4'-P energy: -54.253
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -68.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -849.700885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.700885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.700885 (E_RNA)
where:
Base-Base interactions energy: -584.947
where: short stacking energy: -246.669
Base-Backbone interact. energy: -0.791
local terms energy: -263.963501
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -55.506
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: -66.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -646.256569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.256569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.256569 (E_RNA)
where:
Base-Base interactions energy: -415.279
where: short stacking energy: -176.875
Base-Backbone interact. energy: -0.199
local terms energy: -230.779115
where:
bonds (distance) C4'-P energy: -44.492
bonds (distance) P-C4' energy: -58.567
flat angles C4'-P-C4' energy: -56.627
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -38.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -456.255457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.255457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.255457 (E_RNA)
where:
Base-Base interactions energy: -250.145
where: short stacking energy: -132.922
Base-Backbone interact. energy: -0.756
local terms energy: -205.355010
where:
bonds (distance) C4'-P energy: -53.907
bonds (distance) P-C4' energy: -59.061
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -30.350
tors. eta vs tors. theta energy: -14.616
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: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -414.783192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.783192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.783192 (E_RNA)
where:
Base-Base interactions energy: -220.525
where: short stacking energy: -132.201
Base-Backbone interact. energy: 2.109
local terms energy: -196.366930
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -56.790
flat angles P-C4'-P energy: -27.895
tors. eta vs tors. theta energy: -8.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1144.387932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.387932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.387932 (E_RNA)
where:
Base-Base interactions energy: -804.586
where: short stacking energy: -346.520
Base-Backbone interact. energy: -0.792
local terms energy: -339.010001
where:
bonds (distance) C4'-P energy: -62.640
bonds (distance) P-C4' energy: -60.425
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -46.078
tors. eta vs tors. theta energy: -99.730
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1073.161360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.161360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.161360 (E_RNA)
where:
Base-Base interactions energy: -770.236
where: short stacking energy: -323.951
Base-Backbone interact. energy: -1.258
local terms energy: -301.666911
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -54.201
flat angles C4'-P-C4' energy: -62.445
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: -85.186
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: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1081.509893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.509893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.509893 (E_RNA)
where:
Base-Base interactions energy: -746.290
where: short stacking energy: -320.370
Base-Backbone interact. energy: -0.930
local terms energy: -334.290412
where:
bonds (distance) C4'-P energy: -63.446
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -70.410
flat angles P-C4'-P energy: -44.670
tors. eta vs tors. theta energy: -93.571
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: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1054.756532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.756532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.756532 (E_RNA)
where:
Base-Base interactions energy: -740.057
where: short stacking energy: -308.570
Base-Backbone interact. energy: -1.376
local terms energy: -313.323437
where:
bonds (distance) C4'-P energy: -57.524
bonds (distance) P-C4' energy: -53.411
flat angles C4'-P-C4' energy: -62.811
flat angles P-C4'-P energy: -45.006
tors. eta vs tors. theta energy: -94.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -971.461137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.461137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.461137 (E_RNA)
where:
Base-Base interactions energy: -677.695
where: short stacking energy: -310.494
Base-Backbone interact. energy: -0.498
local terms energy: -293.268189
where:
bonds (distance) C4'-P energy: -49.938
bonds (distance) P-C4' energy: -57.263
flat angles C4'-P-C4' energy: -67.238
flat angles P-C4'-P energy: -31.904
tors. eta vs tors. theta energy: -86.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -904.495170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.495170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.495170 (E_RNA)
where:
Base-Base interactions energy: -633.906
where: short stacking energy: -255.099
Base-Backbone interact. energy: 0.497
local terms energy: -271.086093
where:
bonds (distance) C4'-P energy: -64.304
bonds (distance) P-C4' energy: -40.105
flat angles C4'-P-C4' energy: -62.615
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: -59.698
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -830.395336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.395336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.395336 (E_RNA)
where:
Base-Base interactions energy: -572.170
where: short stacking energy: -246.941
Base-Backbone interact. energy: -1.078
local terms energy: -257.147632
where:
bonds (distance) C4'-P energy: -43.307
bonds (distance) P-C4' energy: -54.909
flat angles C4'-P-C4' energy: -61.614
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -60.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -667.574570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.574570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.574570 (E_RNA)
where:
Base-Base interactions energy: -422.777
where: short stacking energy: -206.246
Base-Backbone interact. energy: -0.191
local terms energy: -244.606453
where:
bonds (distance) C4'-P energy: -41.592
bonds (distance) P-C4' energy: -56.653
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -37.747
tors. eta vs tors. theta energy: -51.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -436.908924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.908924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.908924 (E_RNA)
where:
Base-Base interactions energy: -234.840
where: short stacking energy: -137.152
Base-Backbone interact. energy: 0.028
local terms energy: -202.097024
where:
bonds (distance) C4'-P energy: -51.297
bonds (distance) P-C4' energy: -59.332
flat angles C4'-P-C4' energy: -45.738
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -11.023
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: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -457.534108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.534108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.534108 (E_RNA)
where:
Base-Base interactions energy: -273.067
where: short stacking energy: -135.524
Base-Backbone interact. energy: -0.474
local terms energy: -183.992927
where:
bonds (distance) C4'-P energy: -38.622
bonds (distance) P-C4' energy: -47.549
flat angles C4'-P-C4' energy: -48.473
flat angles P-C4'-P energy: -32.340
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1125.372958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.372958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.372958 (E_RNA)
where:
Base-Base interactions energy: -803.464
where: short stacking energy: -344.296
Base-Backbone interact. energy: -0.923
local terms energy: -320.985540
where:
bonds (distance) C4'-P energy: -56.420
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -68.618
flat angles P-C4'-P energy: -38.513
tors. eta vs tors. theta energy: -97.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1096.485356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.485356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.485356 (E_RNA)
where:
Base-Base interactions energy: -788.089
where: short stacking energy: -327.969
Base-Backbone interact. energy: -2.385
local terms energy: -306.011623
where:
bonds (distance) C4'-P energy: -51.597
bonds (distance) P-C4' energy: -56.701
flat angles C4'-P-C4' energy: -67.942
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -88.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1070.793066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.793066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.793066 (E_RNA)
where:
Base-Base interactions energy: -766.071
where: short stacking energy: -314.131
Base-Backbone interact. energy: -1.128
local terms energy: -303.594790
where:
bonds (distance) C4'-P energy: -51.312
bonds (distance) P-C4' energy: -60.645
flat angles C4'-P-C4' energy: -71.456
flat angles P-C4'-P energy: -34.325
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: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1046.716334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.716334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.716334 (E_RNA)
where:
Base-Base interactions energy: -742.410
where: short stacking energy: -320.205
Base-Backbone interact. energy: -1.232
local terms energy: -303.075036
where:
bonds (distance) C4'-P energy: -53.556
bonds (distance) P-C4' energy: -57.473
flat angles C4'-P-C4' energy: -66.331
flat angles P-C4'-P energy: -41.203
tors. eta vs tors. theta energy: -84.512
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: 335
Temperature: 1.100000
Total energy: -983.327531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.327531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.327531 (E_RNA)
where:
Base-Base interactions energy: -664.877
where: short stacking energy: -283.938
Base-Backbone interact. energy: -0.921
local terms energy: -317.529999
where:
bonds (distance) C4'-P energy: -63.444
bonds (distance) P-C4' energy: -61.804
flat angles C4'-P-C4' energy: -67.383
flat angles P-C4'-P energy: -35.710
tors. eta vs tors. theta energy: -89.189
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: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -912.930608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.930608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.930608 (E_RNA)
where:
Base-Base interactions energy: -624.017
where: short stacking energy: -261.747
Base-Backbone interact. energy: -0.494
local terms energy: -288.419390
where:
bonds (distance) C4'-P energy: -48.916
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -54.035
flat angles P-C4'-P energy: -49.391
tors. eta vs tors. theta energy: -72.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -856.165850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.165850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.165850 (E_RNA)
where:
Base-Base interactions energy: -591.459
where: short stacking energy: -267.318
Base-Backbone interact. energy: -0.442
local terms energy: -264.264978
where:
bonds (distance) C4'-P energy: -50.258
bonds (distance) P-C4' energy: -47.407
flat angles C4'-P-C4' energy: -56.631
flat angles P-C4'-P energy: -48.360
tors. eta vs tors. theta energy: -61.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -650.553087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.553087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.553087 (E_RNA)
where:
Base-Base interactions energy: -422.338
where: short stacking energy: -190.972
Base-Backbone interact. energy: -0.200
local terms energy: -228.015224
where:
bonds (distance) C4'-P energy: -53.394
bonds (distance) P-C4' energy: -55.979
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -29.686
tors. eta vs tors. theta energy: -37.566
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: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -438.071537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.071537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.071537 (E_RNA)
where:
Base-Base interactions energy: -246.448
where: short stacking energy: -103.843
Base-Backbone interact. energy: -1.706
local terms energy: -189.916872
where:
bonds (distance) C4'-P energy: -54.236
bonds (distance) P-C4' energy: -59.058
flat angles C4'-P-C4' energy: -49.588
flat angles P-C4'-P energy: -20.980
tors. eta vs tors. theta energy: -6.055
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: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -455.834720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.834720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.834720 (E_RNA)
where:
Base-Base interactions energy: -251.538
where: short stacking energy: -113.220
Base-Backbone interact. energy: -1.435
local terms energy: -202.861246
where:
bonds (distance) C4'-P energy: -52.376
bonds (distance) P-C4' energy: -49.098
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -32.477
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1135.336436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.336436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.336436 (E_RNA)
where:
Base-Base interactions energy: -800.228
where: short stacking energy: -340.247
Base-Backbone interact. energy: 0.033
local terms energy: -335.140717
where:
bonds (distance) C4'-P energy: -61.081
bonds (distance) P-C4' energy: -64.755
flat angles C4'-P-C4' energy: -67.625
flat angles P-C4'-P energy: -39.608
tors. eta vs tors. theta energy: -102.072
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1094.843779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.843779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.843779 (E_RNA)
where:
Base-Base interactions energy: -768.527
where: short stacking energy: -326.793
Base-Backbone interact. energy: -2.064
local terms energy: -324.253421
where:
bonds (distance) C4'-P energy: -53.102
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -45.068
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: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1088.946642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.946642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.946642 (E_RNA)
where:
Base-Base interactions energy: -762.175
where: short stacking energy: -322.897
Base-Backbone interact. energy: -1.509
local terms energy: -325.262642
where:
bonds (distance) C4'-P energy: -56.579
bonds (distance) P-C4' energy: -65.465
flat angles C4'-P-C4' energy: -62.185
flat angles P-C4'-P energy: -47.322
tors. eta vs tors. theta energy: -93.713
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: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1015.787649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.787649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.787649 (E_RNA)
where:
Base-Base interactions energy: -713.457
where: short stacking energy: -305.568
Base-Backbone interact. energy: -2.474
local terms energy: -299.856137
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -54.942
flat angles C4'-P-C4' energy: -65.836
flat angles P-C4'-P energy: -41.200
tors. eta vs tors. theta energy: -84.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -929.025730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.025730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.025730 (E_RNA)
where:
Base-Base interactions energy: -653.533
where: short stacking energy: -269.940
Base-Backbone interact. energy: -2.999
local terms energy: -272.493010
where:
bonds (distance) C4'-P energy: -48.885
bonds (distance) P-C4' energy: -54.639
flat angles C4'-P-C4' energy: -61.076
flat angles P-C4'-P energy: -37.423
tors. eta vs tors. theta energy: -70.471
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: 5
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -944.979964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.979964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.979964 (E_RNA)
where:
Base-Base interactions energy: -645.424
where: short stacking energy: -285.794
Base-Backbone interact. energy: -0.782
local terms energy: -298.774230
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -57.909
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: -81.955
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: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -859.818287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.818287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.818287 (E_RNA)
where:
Base-Base interactions energy: -597.200
where: short stacking energy: -251.075
Base-Backbone interact. energy: 1.424
local terms energy: -264.042159
where:
bonds (distance) C4'-P energy: -49.534
bonds (distance) P-C4' energy: -62.374
flat angles C4'-P-C4' energy: -59.735
flat angles P-C4'-P energy: -29.339
tors. eta vs tors. theta energy: -63.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -653.997186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.997186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.997186 (E_RNA)
where:
Base-Base interactions energy: -429.892
where: short stacking energy: -205.605
Base-Backbone interact. energy: -0.073
local terms energy: -224.032321
where:
bonds (distance) C4'-P energy: -51.262
bonds (distance) P-C4' energy: -40.709
flat angles C4'-P-C4' energy: -53.534
flat angles P-C4'-P energy: -35.645
tors. eta vs tors. theta energy: -42.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -477.151763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.151763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.151763 (E_RNA)
where:
Base-Base interactions energy: -273.624
where: short stacking energy: -149.424
Base-Backbone interact. energy: -1.638
local terms energy: -201.890414
where:
bonds (distance) C4'-P energy: -34.662
bonds (distance) P-C4' energy: -61.349
flat angles C4'-P-C4' energy: -51.885
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -412.088952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.088952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.088952 (E_RNA)
where:
Base-Base interactions energy: -227.096
where: short stacking energy: -114.993
Base-Backbone interact. energy: -1.282
local terms energy: -183.710785
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -47.962
flat angles C4'-P-C4' energy: -45.178
flat angles P-C4'-P energy: -25.345
tors. eta vs tors. theta energy: -10.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1138.775700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.775700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.775700 (E_RNA)
where:
Base-Base interactions energy: -805.471
where: short stacking energy: -336.344
Base-Backbone interact. energy: 0.007
local terms energy: -333.311136
where:
bonds (distance) C4'-P energy: -62.332
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -67.845
flat angles P-C4'-P energy: -49.792
tors. eta vs tors. theta energy: -97.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1091.393379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.393379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.393379 (E_RNA)
where:
Base-Base interactions energy: -782.825
where: short stacking energy: -315.722
Base-Backbone interact. energy: 0.564
local terms energy: -309.131601
where:
bonds (distance) C4'-P energy: -64.979
bonds (distance) P-C4' energy: -54.886
flat angles C4'-P-C4' energy: -61.223
flat angles P-C4'-P energy: -39.365
tors. eta vs tors. theta energy: -88.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1109.379714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.379714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.379714 (E_RNA)
where:
Base-Base interactions energy: -786.333
where: short stacking energy: -321.591
Base-Backbone interact. energy: -1.909
local terms energy: -321.137903
where:
bonds (distance) C4'-P energy: -63.645
bonds (distance) P-C4' energy: -60.722
flat angles C4'-P-C4' energy: -67.062
flat angles P-C4'-P energy: -41.673
tors. eta vs tors. theta energy: -88.037
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: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1043.943332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.943332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.943332 (E_RNA)
where:
Base-Base interactions energy: -739.559
where: short stacking energy: -317.069
Base-Backbone interact. energy: -1.345
local terms energy: -303.039505
where:
bonds (distance) C4'-P energy: -57.729
bonds (distance) P-C4' energy: -44.377
flat angles C4'-P-C4' energy: -66.552
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: -92.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -921.295380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.295380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.295380 (E_RNA)
where:
Base-Base interactions energy: -640.274
where: short stacking energy: -287.323
Base-Backbone interact. energy: -0.299
local terms energy: -280.722926
where:
bonds (distance) C4'-P energy: -43.567
bonds (distance) P-C4' energy: -57.716
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -44.967
tors. eta vs tors. theta energy: -71.830
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: 5
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -933.222103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.222103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.222103 (E_RNA)
where:
Base-Base interactions energy: -618.454
where: short stacking energy: -286.636
Base-Backbone interact. energy: -0.367
local terms energy: -314.401556
where:
bonds (distance) C4'-P energy: -55.953
bonds (distance) P-C4' energy: -68.381
flat angles C4'-P-C4' energy: -63.277
flat angles P-C4'-P energy: -41.195
tors. eta vs tors. theta energy: -85.595
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: 337
Temperature: 1.200000
Total energy: -871.758627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.758627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.758627 (E_RNA)
where:
Base-Base interactions energy: -596.853
where: short stacking energy: -269.060
Base-Backbone interact. energy: 4.730
local terms energy: -279.636024
where:
bonds (distance) C4'-P energy: -45.268
bonds (distance) P-C4' energy: -62.610
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -42.471
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: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -684.660279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.660279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.660279 (E_RNA)
where:
Base-Base interactions energy: -459.049
where: short stacking energy: -213.157
Base-Backbone interact. energy: -0.118
local terms energy: -225.493305
where:
bonds (distance) C4'-P energy: -37.631
bonds (distance) P-C4' energy: -43.588
flat angles C4'-P-C4' energy: -54.408
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -50.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -439.085351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.085351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.085351 (E_RNA)
where:
Base-Base interactions energy: -259.180
where: short stacking energy: -150.579
Base-Backbone interact. energy: 6.984
local terms energy: -186.889426
where:
bonds (distance) C4'-P energy: -43.427
bonds (distance) P-C4' energy: -45.952
flat angles C4'-P-C4' energy: -41.376
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -18.436
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: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -416.943199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.943199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.943199 (E_RNA)
where:
Base-Base interactions energy: -223.088
where: short stacking energy: -131.011
Base-Backbone interact. energy: -1.120
local terms energy: -192.735810
where:
bonds (distance) C4'-P energy: -47.513
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -57.166
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1132.831906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.831906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.831906 (E_RNA)
where:
Base-Base interactions energy: -821.015
where: short stacking energy: -329.074
Base-Backbone interact. energy: -2.775
local terms energy: -309.042731
where:
bonds (distance) C4'-P energy: -60.920
bonds (distance) P-C4' energy: -49.234
flat angles C4'-P-C4' energy: -64.808
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -92.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1083.625329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.625329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.625329 (E_RNA)
where:
Base-Base interactions energy: -780.386
where: short stacking energy: -311.440
Base-Backbone interact. energy: -0.747
local terms energy: -302.492330
where:
bonds (distance) C4'-P energy: -57.251
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -67.994
flat angles P-C4'-P energy: -39.991
tors. eta vs tors. theta energy: -89.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1085.809101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.809101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.809101 (E_RNA)
where:
Base-Base interactions energy: -770.524
where: short stacking energy: -315.970
Base-Backbone interact. energy: -0.704
local terms energy: -314.580944
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -68.128
flat angles C4'-P-C4' energy: -60.503
flat angles P-C4'-P energy: -39.788
tors. eta vs tors. theta energy: -91.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1073.237793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.237793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.237793 (E_RNA)
where:
Base-Base interactions energy: -752.710
where: short stacking energy: -327.030
Base-Backbone interact. energy: 0.393
local terms energy: -320.919866
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -59.684
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -91.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -954.381939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.381939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.381939 (E_RNA)
where:
Base-Base interactions energy: -657.649
where: short stacking energy: -289.503
Base-Backbone interact. energy: -1.187
local terms energy: -295.545454
where:
bonds (distance) C4'-P energy: -51.675
bonds (distance) P-C4' energy: -61.892
flat angles C4'-P-C4' energy: -57.178
flat angles P-C4'-P energy: -45.520
tors. eta vs tors. theta energy: -79.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -927.619520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.619520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.619520 (E_RNA)
where:
Base-Base interactions energy: -646.062
where: short stacking energy: -265.553
Base-Backbone interact. energy: -3.358
local terms energy: -278.199207
where:
bonds (distance) C4'-P energy: -58.781
bonds (distance) P-C4' energy: -48.207
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: -77.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -855.702589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.702589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.702589 (E_RNA)
where:
Base-Base interactions energy: -594.425
where: short stacking energy: -249.904
Base-Backbone interact. energy: -1.461
local terms energy: -259.816888
where:
bonds (distance) C4'-P energy: -63.761
bonds (distance) P-C4' energy: -48.513
flat angles C4'-P-C4' energy: -55.323
flat angles P-C4'-P energy: -34.303
tors. eta vs tors. theta energy: -57.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -676.804500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.804500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.804500 (E_RNA)
where:
Base-Base interactions energy: -441.283
where: short stacking energy: -201.764
Base-Backbone interact. energy: -0.738
local terms energy: -234.784212
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -42.001
flat angles C4'-P-C4' energy: -62.307
flat angles P-C4'-P energy: -29.865
tors. eta vs tors. theta energy: -45.692
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: 338
Temperature: 1.300000
Total energy: -461.922396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.922396 (E_RNA)
where:
Base-Base interactions energy: -254.628
where: short stacking energy: -138.297
Base-Backbone interact. energy: -0.677
local terms energy: -206.617441
where:
bonds (distance) C4'-P energy: -55.596
bonds (distance) P-C4' energy: -53.055
flat angles C4'-P-C4' energy: -46.482
flat angles P-C4'-P energy: -29.904
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -405.502000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.502000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.502000 (E_RNA)
where:
Base-Base interactions energy: -218.339
where: short stacking energy: -113.434
Base-Backbone interact. energy: 1.580
local terms energy: -188.742931
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -51.662
flat angles C4'-P-C4' energy: -49.758
flat angles P-C4'-P energy: -35.111
tors. eta vs tors. theta energy: -3.208
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: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1135.554731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.554731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.554731 (E_RNA)
where:
Base-Base interactions energy: -798.018
where: short stacking energy: -325.933
Base-Backbone interact. energy: -1.162
local terms energy: -336.374608
where:
bonds (distance) C4'-P energy: -59.837
bonds (distance) P-C4' energy: -64.052
flat angles C4'-P-C4' energy: -69.218
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -95.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1104.931880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.931880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.931880 (E_RNA)
where:
Base-Base interactions energy: -760.349
where: short stacking energy: -324.129
Base-Backbone interact. energy: -0.325
local terms energy: -344.257952
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -67.144
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -50.845
tors. eta vs tors. theta energy: -90.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1067.445543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.445543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.445543 (E_RNA)
where:
Base-Base interactions energy: -745.693
where: short stacking energy: -309.511
Base-Backbone interact. energy: -2.641
local terms energy: -319.111753
where:
bonds (distance) C4'-P energy: -64.698
bonds (distance) P-C4' energy: -56.707
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -39.985
tors. eta vs tors. theta energy: -91.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -980.001372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.001372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.001372 (E_RNA)
where:
Base-Base interactions energy: -681.374
where: short stacking energy: -300.515
Base-Backbone interact. energy: -2.034
local terms energy: -296.592506
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -55.402
flat angles C4'-P-C4' energy: -65.341
flat angles P-C4'-P energy: -37.722
tors. eta vs tors. theta energy: -84.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1027.853631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.853631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.853631 (E_RNA)
where:
Base-Base interactions energy: -730.589
where: short stacking energy: -308.645
Base-Backbone interact. energy: -2.288
local terms energy: -294.975899
where:
bonds (distance) C4'-P energy: -61.837
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -60.934
flat angles P-C4'-P energy: -31.544
tors. eta vs tors. theta energy: -91.011
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: 339
Temperature: 1.150000
Total energy: -947.921062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.921062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.921062 (E_RNA)
where:
Base-Base interactions energy: -687.020
where: short stacking energy: -287.953
Base-Backbone interact. energy: 0.206
local terms energy: -261.107782
where:
bonds (distance) C4'-P energy: -51.503
bonds (distance) P-C4' energy: -40.535
flat angles C4'-P-C4' energy: -60.208
flat angles P-C4'-P energy: -33.779
tors. eta vs tors. theta energy: -75.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -869.973946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.973946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.973946 (E_RNA)
where:
Base-Base interactions energy: -604.427
where: short stacking energy: -267.609
Base-Backbone interact. energy: -0.597
local terms energy: -264.949335
where:
bonds (distance) C4'-P energy: -46.576
bonds (distance) P-C4' energy: -56.515
flat angles C4'-P-C4' energy: -63.501
flat angles P-C4'-P energy: -30.279
tors. eta vs tors. theta energy: -68.077
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: 8
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -701.156566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.156566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.156566 (E_RNA)
where:
Base-Base interactions energy: -468.795
where: short stacking energy: -220.945
Base-Backbone interact. energy: -0.172
local terms energy: -232.190203
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -47.614
flat angles C4'-P-C4' energy: -46.952
flat angles P-C4'-P energy: -38.473
tors. eta vs tors. theta energy: -48.196
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: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -432.509391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.509391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.509391 (E_RNA)
where:
Base-Base interactions energy: -247.766
where: short stacking energy: -122.624
Base-Backbone interact. energy: 5.915
local terms energy: -190.658177
where:
bonds (distance) C4'-P energy: -42.499
bonds (distance) P-C4' energy: -49.481
flat angles C4'-P-C4' energy: -48.989
flat angles P-C4'-P energy: -29.471
tors. eta vs tors. theta energy: -20.219
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: 4
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -399.028953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.028953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.028953 (E_RNA)
where:
Base-Base interactions energy: -239.424
where: short stacking energy: -127.057
Base-Backbone interact. energy: 0.312
local terms energy: -159.916599
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -34.063
tors. eta vs tors. theta energy: -3.619
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: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1129.429533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.429533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.429533 (E_RNA)
where:
Base-Base interactions energy: -783.631
where: short stacking energy: -339.129
Base-Backbone interact. energy: -1.598
local terms energy: -344.200785
where:
bonds (distance) C4'-P energy: -63.539
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -71.292
flat angles P-C4'-P energy: -48.664
tors. eta vs tors. theta energy: -94.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1096.462552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.462552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.462552 (E_RNA)
where:
Base-Base interactions energy: -776.614
where: short stacking energy: -344.579
Base-Backbone interact. energy: -0.803
local terms energy: -319.044687
where:
bonds (distance) C4'-P energy: -62.822
bonds (distance) P-C4' energy: -62.361
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -38.874
tors. eta vs tors. theta energy: -95.971
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: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1092.888606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.888606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.888606 (E_RNA)
where:
Base-Base interactions energy: -789.406
where: short stacking energy: -327.062
Base-Backbone interact. energy: 0.715
local terms energy: -304.198041
where:
bonds (distance) C4'-P energy: -62.225
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -58.759
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -95.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -982.826498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.826498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.826498 (E_RNA)
where:
Base-Base interactions energy: -667.965
where: short stacking energy: -298.878
Base-Backbone interact. energy: -1.224
local terms energy: -313.636723
where:
bonds (distance) C4'-P energy: -62.842
bonds (distance) P-C4' energy: -57.407
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: -88.192
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: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1035.666305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.666305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.666305 (E_RNA)
where:
Base-Base interactions energy: -738.698
where: short stacking energy: -291.380
Base-Backbone interact. energy: -0.574
local terms energy: -296.394056
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -53.489
flat angles C4'-P-C4' energy: -60.538
flat angles P-C4'-P energy: -45.186
tors. eta vs tors. theta energy: -89.321
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: 340
Temperature: 1.150000
Total energy: -947.138904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.138904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.138904 (E_RNA)
where:
Base-Base interactions energy: -665.589
where: short stacking energy: -276.232
Base-Backbone interact. energy: -0.478
local terms energy: -281.071277
where:
bonds (distance) C4'-P energy: -53.069
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -41.143
tors. eta vs tors. theta energy: -68.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -859.871976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.871976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.871976 (E_RNA)
where:
Base-Base interactions energy: -595.166
where: short stacking energy: -256.329
Base-Backbone interact. energy: -2.569
local terms energy: -262.136650
where:
bonds (distance) C4'-P energy: -44.600
bonds (distance) P-C4' energy: -57.563
flat angles C4'-P-C4' energy: -68.309
flat angles P-C4'-P energy: -28.464
tors. eta vs tors. theta energy: -63.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -694.982587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.982587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.982587 (E_RNA)
where:
Base-Base interactions energy: -458.343
where: short stacking energy: -196.796
Base-Backbone interact. energy: -2.180
local terms energy: -234.459218
where:
bonds (distance) C4'-P energy: -61.522
bonds (distance) P-C4' energy: -51.982
flat angles C4'-P-C4' energy: -50.575
flat angles P-C4'-P energy: -29.663
tors. eta vs tors. theta energy: -40.719
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: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -466.599796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.599796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.599796 (E_RNA)
where:
Base-Base interactions energy: -284.905
where: short stacking energy: -148.380
Base-Backbone interact. energy: -1.804
local terms energy: -179.890923
where:
bonds (distance) C4'-P energy: -46.132
bonds (distance) P-C4' energy: -50.065
flat angles C4'-P-C4' energy: -45.446
flat angles P-C4'-P energy: -29.202
tors. eta vs tors. theta energy: -9.046
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: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -403.227174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.227174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.227174 (E_RNA)
where:
Base-Base interactions energy: -209.899
where: short stacking energy: -114.800
Base-Backbone interact. energy: 1.252
local terms energy: -194.579970
where:
bonds (distance) C4'-P energy: -47.050
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -53.863
flat angles P-C4'-P energy: -27.068
tors. eta vs tors. theta energy: -8.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1120.476547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.476547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.476547 (E_RNA)
where:
Base-Base interactions energy: -782.929
where: short stacking energy: -320.304
Base-Backbone interact. energy: -0.809
local terms energy: -336.738622
where:
bonds (distance) C4'-P energy: -61.948
bonds (distance) P-C4' energy: -66.933
flat angles C4'-P-C4' energy: -63.889
flat angles P-C4'-P energy: -45.893
tors. eta vs tors. theta energy: -98.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1118.821953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.821953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.821953 (E_RNA)
where:
Base-Base interactions energy: -802.253
where: short stacking energy: -330.706
Base-Backbone interact. energy: -0.634
local terms energy: -315.934318
where:
bonds (distance) C4'-P energy: -59.836
bonds (distance) P-C4' energy: -49.031
flat angles C4'-P-C4' energy: -69.781
flat angles P-C4'-P energy: -42.850
tors. eta vs tors. theta energy: -94.437
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: 1
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1071.401822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.401822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.401822 (E_RNA)
where:
Base-Base interactions energy: -766.054
where: short stacking energy: -317.503
Base-Backbone interact. energy: -1.833
local terms energy: -303.513902
where:
bonds (distance) C4'-P energy: -59.767
bonds (distance) P-C4' energy: -54.809
flat angles C4'-P-C4' energy: -57.269
flat angles P-C4'-P energy: -42.561
tors. eta vs tors. theta energy: -89.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1075.746176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.746176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.746176 (E_RNA)
where:
Base-Base interactions energy: -768.019
where: short stacking energy: -321.783
Base-Backbone interact. energy: 1.942
local terms energy: -309.668576
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -46.548
flat angles C4'-P-C4' energy: -68.675
flat angles P-C4'-P energy: -46.066
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: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -957.588042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.588042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.588042 (E_RNA)
where:
Base-Base interactions energy: -651.258
where: short stacking energy: -278.863
Base-Backbone interact. energy: -0.245
local terms energy: -306.085500
where:
bonds (distance) C4'-P energy: -62.580
bonds (distance) P-C4' energy: -62.936
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -43.899
tors. eta vs tors. theta energy: -73.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -962.476867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.476867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.476867 (E_RNA)
where:
Base-Base interactions energy: -682.214
where: short stacking energy: -292.988
Base-Backbone interact. energy: -1.449
local terms energy: -278.814548
where:
bonds (distance) C4'-P energy: -55.234
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -59.760
flat angles P-C4'-P energy: -35.959
tors. eta vs tors. theta energy: -77.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -858.906503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.906503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.906503 (E_RNA)
where:
Base-Base interactions energy: -586.078
where: short stacking energy: -247.765
Base-Backbone interact. energy: -2.686
local terms energy: -270.142901
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -61.337
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -54.132
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: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -640.582494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.582494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.582494 (E_RNA)
where:
Base-Base interactions energy: -396.841
where: short stacking energy: -176.248
Base-Backbone interact. energy: 1.396
local terms energy: -245.137526
where:
bonds (distance) C4'-P energy: -53.295
bonds (distance) P-C4' energy: -65.502
flat angles C4'-P-C4' energy: -51.480
flat angles P-C4'-P energy: -31.975
tors. eta vs tors. theta energy: -42.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -459.090764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.090764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.090764 (E_RNA)
where:
Base-Base interactions energy: -264.577
where: short stacking energy: -141.840
Base-Backbone interact. energy: 1.654
local terms energy: -196.166947
where:
bonds (distance) C4'-P energy: -50.428
bonds (distance) P-C4' energy: -52.458
flat angles C4'-P-C4' energy: -39.642
flat angles P-C4'-P energy: -35.249
tors. eta vs tors. theta energy: -18.390
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: 341
Temperature: 1.350000
Total energy: -413.715398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.715398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.715398 (E_RNA)
where:
Base-Base interactions energy: -247.947
where: short stacking energy: -113.548
Base-Backbone interact. energy: 2.150
local terms energy: -167.918595
where:
bonds (distance) C4'-P energy: -43.478
bonds (distance) P-C4' energy: -51.102
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -27.411
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: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1141.580822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.580822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.580822 (E_RNA)
where:
Base-Base interactions energy: -807.884
where: short stacking energy: -339.955
Base-Backbone interact. energy: 0.186
local terms energy: -333.883171
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -54.279
flat angles C4'-P-C4' energy: -75.442
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -101.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1114.270226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.270226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.270226 (E_RNA)
where:
Base-Base interactions energy: -772.852
where: short stacking energy: -326.909
Base-Backbone interact. energy: -1.626
local terms energy: -339.792403
where:
bonds (distance) C4'-P energy: -59.981
bonds (distance) P-C4' energy: -61.306
flat angles C4'-P-C4' energy: -73.384
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -97.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1110.554748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.554748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.554748 (E_RNA)
where:
Base-Base interactions energy: -787.538
where: short stacking energy: -325.223
Base-Backbone interact. energy: -0.780
local terms energy: -322.236805
where:
bonds (distance) C4'-P energy: -62.767
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -50.777
tors. eta vs tors. theta energy: -90.081
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: 4, replica: 1
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1041.919120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.919120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.919120 (E_RNA)
where:
Base-Base interactions energy: -727.829
where: short stacking energy: -321.598
Base-Backbone interact. energy: -2.758
local terms energy: -311.332150
where:
bonds (distance) C4'-P energy: -48.686
bonds (distance) P-C4' energy: -52.343
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -42.093
tors. eta vs tors. theta energy: -92.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -984.148768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.148768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.148768 (E_RNA)
where:
Base-Base interactions energy: -701.925
where: short stacking energy: -290.132
Base-Backbone interact. energy: -2.696
local terms energy: -279.527419
where:
bonds (distance) C4'-P energy: -45.273
bonds (distance) P-C4' energy: -50.565
flat angles C4'-P-C4' energy: -63.287
flat angles P-C4'-P energy: -41.753
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -954.525384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.525384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.525384 (E_RNA)
where:
Base-Base interactions energy: -664.236
where: short stacking energy: -297.486
Base-Backbone interact. energy: -0.799
local terms energy: -289.490361
where:
bonds (distance) C4'-P energy: -53.947
bonds (distance) P-C4' energy: -54.812
flat angles C4'-P-C4' energy: -57.791
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -85.456
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: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -867.618326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.618326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.618326 (E_RNA)
where:
Base-Base interactions energy: -577.834
where: short stacking energy: -274.388
Base-Backbone interact. energy: -0.439
local terms energy: -289.345582
where:
bonds (distance) C4'-P energy: -52.145
bonds (distance) P-C4' energy: -53.347
flat angles C4'-P-C4' energy: -64.789
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -75.665
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: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -649.296812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.296812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.296812 (E_RNA)
where:
Base-Base interactions energy: -426.832
where: short stacking energy: -195.708
Base-Backbone interact. energy: -1.124
local terms energy: -221.340549
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -48.593
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -381.579526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.579526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.579526 (E_RNA)
where:
Base-Base interactions energy: -202.038
where: short stacking energy: -114.613
Base-Backbone interact. energy: -0.303
local terms energy: -179.238259
where:
bonds (distance) C4'-P energy: -47.256
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -53.645
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -8.660
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: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -407.554512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.554512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.554512 (E_RNA)
where:
Base-Base interactions energy: -219.332
where: short stacking energy: -118.614
Base-Backbone interact. energy: -0.875
local terms energy: -187.347787
where:
bonds (distance) C4'-P energy: -55.633
bonds (distance) P-C4' energy: -48.902
flat angles C4'-P-C4' energy: -50.428
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -7.613
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: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1130.207471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.207471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.207471 (E_RNA)
where:
Base-Base interactions energy: -794.250
where: short stacking energy: -332.132
Base-Backbone interact. energy: -1.252
local terms energy: -334.705360
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -64.163
flat angles C4'-P-C4' energy: -60.944
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -94.711
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: 2, replica: 3
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1138.567745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.567745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.567745 (E_RNA)
where:
Base-Base interactions energy: -823.396
where: short stacking energy: -344.629
Base-Backbone interact. energy: -2.018
local terms energy: -313.153423
where:
bonds (distance) C4'-P energy: -53.160
bonds (distance) P-C4' energy: -53.151
flat angles C4'-P-C4' energy: -63.899
flat angles P-C4'-P energy: -47.564
tors. eta vs tors. theta energy: -95.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1098.175503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.175503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.175503 (E_RNA)
where:
Base-Base interactions energy: -774.784
where: short stacking energy: -330.384
Base-Backbone interact. energy: -0.791
local terms energy: -322.600671
where:
bonds (distance) C4'-P energy: -51.660
bonds (distance) P-C4' energy: -62.837
flat angles C4'-P-C4' energy: -69.392
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -101.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1036.334147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.334147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.334147 (E_RNA)
where:
Base-Base interactions energy: -723.616
where: short stacking energy: -318.343
Base-Backbone interact. energy: -0.797
local terms energy: -311.920403
where:
bonds (distance) C4'-P energy: -61.833
bonds (distance) P-C4' energy: -53.067
flat angles C4'-P-C4' energy: -68.044
flat angles P-C4'-P energy: -38.477
tors. eta vs tors. theta energy: -90.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1019.273445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.273445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.273445 (E_RNA)
where:
Base-Base interactions energy: -710.642
where: short stacking energy: -294.559
Base-Backbone interact. energy: -1.709
local terms energy: -306.923112
where:
bonds (distance) C4'-P energy: -57.190
bonds (distance) P-C4' energy: -55.526
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -83.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -936.913824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.913824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.913824 (E_RNA)
where:
Base-Base interactions energy: -642.049
where: short stacking energy: -280.309
Base-Backbone interact. energy: -0.730
local terms energy: -294.134525
where:
bonds (distance) C4'-P energy: -63.650
bonds (distance) P-C4' energy: -55.659
flat angles C4'-P-C4' energy: -62.457
flat angles P-C4'-P energy: -34.570
tors. eta vs tors. theta energy: -77.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -866.326948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.326948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.326948 (E_RNA)
where:
Base-Base interactions energy: -601.616
where: short stacking energy: -252.533
Base-Backbone interact. energy: -0.316
local terms energy: -264.394432
where:
bonds (distance) C4'-P energy: -48.647
bonds (distance) P-C4' energy: -40.307
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -35.651
tors. eta vs tors. theta energy: -75.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -697.743306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.743306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.743306 (E_RNA)
where:
Base-Base interactions energy: -453.333
where: short stacking energy: -211.521
Base-Backbone interact. energy: -1.786
local terms energy: -242.623860
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -44.558
flat angles C4'-P-C4' energy: -58.023
flat angles P-C4'-P energy: -32.689
tors. eta vs tors. theta energy: -49.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -398.617303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.617303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.617303 (E_RNA)
where:
Base-Base interactions energy: -202.241
where: short stacking energy: -118.512
Base-Backbone interact. energy: 2.324
local terms energy: -198.699743
where:
bonds (distance) C4'-P energy: -36.604
bonds (distance) P-C4' energy: -58.307
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -30.752
tors. eta vs tors. theta energy: -20.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -396.587130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.587130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.587130 (E_RNA)
where:
Base-Base interactions energy: -210.630
where: short stacking energy: -118.656
Base-Backbone interact. energy: -0.783
local terms energy: -185.174481
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -45.674
flat angles C4'-P-C4' energy: -57.218
flat angles P-C4'-P energy: -21.394
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1140.554750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.554750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.554750 (E_RNA)
where:
Base-Base interactions energy: -814.344
where: short stacking energy: -329.815
Base-Backbone interact. energy: -1.606
local terms energy: -324.604775
where:
bonds (distance) C4'-P energy: -58.223
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -67.651
flat angles P-C4'-P energy: -44.693
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: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1099.963603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.963603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.963603 (E_RNA)
where:
Base-Base interactions energy: -769.849
where: short stacking energy: -333.061
Base-Backbone interact. energy: -0.583
local terms energy: -329.531117
where:
bonds (distance) C4'-P energy: -59.256
bonds (distance) P-C4' energy: -58.589
flat angles C4'-P-C4' energy: -71.248
flat angles P-C4'-P energy: -43.751
tors. eta vs tors. theta energy: -96.687
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: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1062.269312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.269312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.269312 (E_RNA)
where:
Base-Base interactions energy: -751.147
where: short stacking energy: -316.986
Base-Backbone interact. energy: -1.812
local terms energy: -309.310899
where:
bonds (distance) C4'-P energy: -54.814
bonds (distance) P-C4' energy: -63.600
flat angles C4'-P-C4' energy: -65.195
flat angles P-C4'-P energy: -39.179
tors. eta vs tors. theta energy: -86.523
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: 4, replica: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1040.257965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.257965 (E_RNA)
where:
Base-Base interactions energy: -733.472
where: short stacking energy: -319.169
Base-Backbone interact. energy: -0.857
local terms energy: -305.928241
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -54.215
flat angles C4'-P-C4' energy: -66.637
flat angles P-C4'-P energy: -42.978
tors. eta vs tors. theta energy: -91.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -991.333873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.333873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.333873 (E_RNA)
where:
Base-Base interactions energy: -706.293
where: short stacking energy: -295.030
Base-Backbone interact. energy: -0.051
local terms energy: -284.990024
where:
bonds (distance) C4'-P energy: -57.576
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -61.206
flat angles P-C4'-P energy: -32.968
tors. eta vs tors. theta energy: -78.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -937.679655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.679655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.679655 (E_RNA)
where:
Base-Base interactions energy: -629.828
where: short stacking energy: -277.672
Base-Backbone interact. energy: -0.246
local terms energy: -307.606501
where:
bonds (distance) C4'-P energy: -62.106
bonds (distance) P-C4' energy: -62.160
flat angles C4'-P-C4' energy: -61.248
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -81.172
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -880.514121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.514121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.514121 (E_RNA)
where:
Base-Base interactions energy: -628.042
where: short stacking energy: -279.009
Base-Backbone interact. energy: -0.069
local terms energy: -252.402889
where:
bonds (distance) C4'-P energy: -47.577
bonds (distance) P-C4' energy: -53.113
flat angles C4'-P-C4' energy: -52.437
flat angles P-C4'-P energy: -30.168
tors. eta vs tors. theta energy: -69.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -659.718913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.718913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.718913 (E_RNA)
where:
Base-Base interactions energy: -427.896
where: short stacking energy: -192.980
Base-Backbone interact. energy: 1.142
local terms energy: -232.964677
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -54.414
flat angles C4'-P-C4' energy: -49.144
flat angles P-C4'-P energy: -41.875
tors. eta vs tors. theta energy: -33.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -399.640973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.640973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.640973 (E_RNA)
where:
Base-Base interactions energy: -228.538
where: short stacking energy: -127.961
Base-Backbone interact. energy: -1.252
local terms energy: -169.850450
where:
bonds (distance) C4'-P energy: -43.393
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -40.405
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -443.442019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.442019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.442019 (E_RNA)
where:
Base-Base interactions energy: -249.944
where: short stacking energy: -125.900
Base-Backbone interact. energy: 2.352
local terms energy: -195.849492
where:
bonds (distance) C4'-P energy: -44.336
bonds (distance) P-C4' energy: -52.825
flat angles C4'-P-C4' energy: -54.072
flat angles P-C4'-P energy: -29.997
tors. eta vs tors. theta energy: -14.619
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: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1137.774053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.774053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.774053 (E_RNA)
where:
Base-Base interactions energy: -819.929
where: short stacking energy: -325.147
Base-Backbone interact. energy: -1.585
local terms energy: -316.259649
where:
bonds (distance) C4'-P energy: -58.399
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -70.559
flat angles P-C4'-P energy: -41.322
tors. eta vs tors. theta energy: -88.610
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: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1078.153857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.153857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.153857 (E_RNA)
where:
Base-Base interactions energy: -762.144
where: short stacking energy: -315.482
Base-Backbone interact. energy: -0.244
local terms energy: -315.766049
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -51.266
tors. eta vs tors. theta energy: -93.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1091.720263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.720263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.720263 (E_RNA)
where:
Base-Base interactions energy: -762.680
where: short stacking energy: -315.180
Base-Backbone interact. energy: -0.601
local terms energy: -328.439302
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -71.438
flat angles P-C4'-P energy: -47.775
tors. eta vs tors. theta energy: -98.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1025.645326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.645326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.645326 (E_RNA)
where:
Base-Base interactions energy: -714.549
where: short stacking energy: -305.136
Base-Backbone interact. energy: -1.557
local terms energy: -309.539150
where:
bonds (distance) C4'-P energy: -46.217
bonds (distance) P-C4' energy: -57.228
flat angles C4'-P-C4' energy: -74.900
flat angles P-C4'-P energy: -41.854
tors. eta vs tors. theta energy: -89.341
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: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -999.420803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.420803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.420803 (E_RNA)
where:
Base-Base interactions energy: -719.448
where: short stacking energy: -294.411
Base-Backbone interact. energy: -0.947
local terms energy: -279.025861
where:
bonds (distance) C4'-P energy: -47.374
bonds (distance) P-C4' energy: -60.559
flat angles C4'-P-C4' energy: -59.275
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -84.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -932.841025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.841025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.841025 (E_RNA)
where:
Base-Base interactions energy: -656.114
where: short stacking energy: -284.264
Base-Backbone interact. energy: -0.530
local terms energy: -276.196778
where:
bonds (distance) C4'-P energy: -58.544
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -57.770
flat angles P-C4'-P energy: -29.822
tors. eta vs tors. theta energy: -78.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -833.104492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.104492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.104492 (E_RNA)
where:
Base-Base interactions energy: -577.484
where: short stacking energy: -229.302
Base-Backbone interact. energy: -2.252
local terms energy: -253.368908
where:
bonds (distance) C4'-P energy: -51.492
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -56.559
flat angles P-C4'-P energy: -38.176
tors. eta vs tors. theta energy: -58.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -676.394691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.394691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.394691 (E_RNA)
where:
Base-Base interactions energy: -459.256
where: short stacking energy: -203.671
Base-Backbone interact. energy: -0.858
local terms energy: -216.280857
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -54.224
flat angles C4'-P-C4' energy: -43.061
flat angles P-C4'-P energy: -29.433
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: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -439.633313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.633313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.633313 (E_RNA)
where:
Base-Base interactions energy: -233.870
where: short stacking energy: -130.468
Base-Backbone interact. energy: -0.387
local terms energy: -205.376235
where:
bonds (distance) C4'-P energy: -57.255
bonds (distance) P-C4' energy: -57.211
flat angles C4'-P-C4' energy: -37.287
flat angles P-C4'-P energy: -33.571
tors. eta vs tors. theta energy: -20.053
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: 4
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -446.539373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.539373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.539373 (E_RNA)
where:
Base-Base interactions energy: -256.613
where: short stacking energy: -124.988
Base-Backbone interact. energy: -0.490
local terms energy: -189.436991
where:
bonds (distance) C4'-P energy: -52.780
bonds (distance) P-C4' energy: -39.663
flat angles C4'-P-C4' energy: -54.619
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: -14.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1163.626401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.626401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.626401 (E_RNA)
where:
Base-Base interactions energy: -844.524
where: short stacking energy: -357.687
Base-Backbone interact. energy: -1.144
local terms energy: -317.958227
where:
bonds (distance) C4'-P energy: -63.936
bonds (distance) P-C4' energy: -55.641
flat angles C4'-P-C4' energy: -64.839
flat angles P-C4'-P energy: -42.843
tors. eta vs tors. theta energy: -90.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1088.840915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.840915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.840915 (E_RNA)
where:
Base-Base interactions energy: -766.827
where: short stacking energy: -325.859
Base-Backbone interact. energy: -0.633
local terms energy: -321.381369
where:
bonds (distance) C4'-P energy: -59.157
bonds (distance) P-C4' energy: -58.829
flat angles C4'-P-C4' energy: -68.100
flat angles P-C4'-P energy: -41.197
tors. eta vs tors. theta energy: -94.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1057.900113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.900113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.900113 (E_RNA)
where:
Base-Base interactions energy: -756.625
where: short stacking energy: -319.661
Base-Backbone interact. energy: -0.834
local terms energy: -300.441198
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -48.269
flat angles C4'-P-C4' energy: -68.508
flat angles P-C4'-P energy: -29.908
tors. eta vs tors. theta energy: -93.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1024.120510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.120510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.120510 (E_RNA)
where:
Base-Base interactions energy: -712.592
where: short stacking energy: -299.636
Base-Backbone interact. energy: -0.630
local terms energy: -310.898862
where:
bonds (distance) C4'-P energy: -55.241
bonds (distance) P-C4' energy: -57.129
flat angles C4'-P-C4' energy: -64.505
flat angles P-C4'-P energy: -43.170
tors. eta vs tors. theta energy: -90.853
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: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1005.728433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.728433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.728433 (E_RNA)
where:
Base-Base interactions energy: -694.955
where: short stacking energy: -308.019
Base-Backbone interact. energy: 0.556
local terms energy: -311.329215
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -56.082
flat angles C4'-P-C4' energy: -66.196
flat angles P-C4'-P energy: -43.159
tors. eta vs tors. theta energy: -88.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -948.797725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.797725 (E_RNA)
where:
Base-Base interactions energy: -648.891
where: short stacking energy: -289.989
Base-Backbone interact. energy: -1.601
local terms energy: -298.305375
where:
bonds (distance) C4'-P energy: -48.193
bonds (distance) P-C4' energy: -58.265
flat angles C4'-P-C4' energy: -65.383
flat angles P-C4'-P energy: -46.178
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: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -811.699836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.699836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.699836 (E_RNA)
where:
Base-Base interactions energy: -551.945
where: short stacking energy: -243.691
Base-Backbone interact. energy: 0.216
local terms energy: -259.970510
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -55.069
flat angles P-C4'-P energy: -29.941
tors. eta vs tors. theta energy: -62.578
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: 8
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -712.827978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.827978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.827978 (E_RNA)
where:
Base-Base interactions energy: -477.947
where: short stacking energy: -224.880
Base-Backbone interact. energy: 2.148
local terms energy: -237.029054
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -50.626
flat angles C4'-P-C4' energy: -57.131
flat angles P-C4'-P energy: -32.621
tors. eta vs tors. theta energy: -46.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -487.346563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.346563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.346563 (E_RNA)
where:
Base-Base interactions energy: -280.918
where: short stacking energy: -148.291
Base-Backbone interact. energy: 3.775
local terms energy: -210.203804
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -65.036
flat angles C4'-P-C4' energy: -51.192
flat angles P-C4'-P energy: -28.676
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: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -420.054268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.054268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.054268 (E_RNA)
where:
Base-Base interactions energy: -213.004
where: short stacking energy: -117.948
Base-Backbone interact. energy: 0.417
local terms energy: -207.467267
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -51.475
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1165.925617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.925617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.925617 (E_RNA)
where:
Base-Base interactions energy: -846.185
where: short stacking energy: -345.781
Base-Backbone interact. energy: 0.133
local terms energy: -319.873082
where:
bonds (distance) C4'-P energy: -59.159
bonds (distance) P-C4' energy: -67.383
flat angles C4'-P-C4' energy: -61.939
flat angles P-C4'-P energy: -43.957
tors. eta vs tors. theta energy: -87.435
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: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1076.572576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.572576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.572576 (E_RNA)
where:
Base-Base interactions energy: -753.577
where: short stacking energy: -318.396
Base-Backbone interact. energy: -2.086
local terms energy: -320.910169
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -57.707
flat angles C4'-P-C4' energy: -68.392
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -88.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1072.579210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.579210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.579210 (E_RNA)
where:
Base-Base interactions energy: -752.678
where: short stacking energy: -309.929
Base-Backbone interact. energy: 0.102
local terms energy: -320.002654
where:
bonds (distance) C4'-P energy: -53.002
bonds (distance) P-C4' energy: -60.965
flat angles C4'-P-C4' energy: -73.217
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -94.570
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: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1036.516427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.516427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.516427 (E_RNA)
where:
Base-Base interactions energy: -729.817
where: short stacking energy: -332.154
Base-Backbone interact. energy: -1.079
local terms energy: -305.620680
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -51.638
flat angles C4'-P-C4' energy: -61.606
flat angles P-C4'-P energy: -42.907
tors. eta vs tors. theta energy: -93.338
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: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -986.400100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.400100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.400100 (E_RNA)
where:
Base-Base interactions energy: -689.454
where: short stacking energy: -292.929
Base-Backbone interact. energy: 0.340
local terms energy: -297.285683
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -54.989
flat angles C4'-P-C4' energy: -60.677
flat angles P-C4'-P energy: -48.393
tors. eta vs tors. theta energy: -77.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -932.454723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.454723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.454723 (E_RNA)
where:
Base-Base interactions energy: -659.051
where: short stacking energy: -288.059
Base-Backbone interact. energy: -1.153
local terms energy: -272.250264
where:
bonds (distance) C4'-P energy: -49.536
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -59.882
flat angles P-C4'-P energy: -31.472
tors. eta vs tors. theta energy: -78.342
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: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -839.489191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.489191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.489191 (E_RNA)
where:
Base-Base interactions energy: -569.970
where: short stacking energy: -267.846
Base-Backbone interact. energy: -1.265
local terms energy: -268.254334
where:
bonds (distance) C4'-P energy: -57.213
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -57.235
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -672.021543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.021543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.021543 (E_RNA)
where:
Base-Base interactions energy: -455.379
where: short stacking energy: -209.195
Base-Backbone interact. energy: -0.547
local terms energy: -216.095606
where:
bonds (distance) C4'-P energy: -47.254
bonds (distance) P-C4' energy: -57.480
flat angles C4'-P-C4' energy: -41.917
flat angles P-C4'-P energy: -22.538
tors. eta vs tors. theta energy: -46.907
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: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -498.995287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.995287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.995287 (E_RNA)
where:
Base-Base interactions energy: -282.672
where: short stacking energy: -138.736
Base-Backbone interact. energy: 3.124
local terms energy: -219.447437
where:
bonds (distance) C4'-P energy: -44.036
bonds (distance) P-C4' energy: -62.378
flat angles C4'-P-C4' energy: -53.427
flat angles P-C4'-P energy: -38.378
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -427.304056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.304056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.304056 (E_RNA)
where:
Base-Base interactions energy: -242.501
where: short stacking energy: -116.433
Base-Backbone interact. energy: -2.955
local terms energy: -181.847862
where:
bonds (distance) C4'-P energy: -40.541
bonds (distance) P-C4' energy: -56.572
flat angles C4'-P-C4' energy: -48.485
flat angles P-C4'-P energy: -27.779
tors. eta vs tors. theta energy: -8.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1162.584637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.584637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.584637 (E_RNA)
where:
Base-Base interactions energy: -823.400
where: short stacking energy: -336.537
Base-Backbone interact. energy: -1.198
local terms energy: -337.986932
where:
bonds (distance) C4'-P energy: -66.154
bonds (distance) P-C4' energy: -68.630
flat angles C4'-P-C4' energy: -62.606
flat angles P-C4'-P energy: -46.732
tors. eta vs tors. theta energy: -93.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1091.833065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.833065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.833065 (E_RNA)
where:
Base-Base interactions energy: -754.440
where: short stacking energy: -317.406
Base-Backbone interact. energy: -0.929
local terms energy: -336.464076
where:
bonds (distance) C4'-P energy: -58.770
bonds (distance) P-C4' energy: -64.639
flat angles C4'-P-C4' energy: -71.634
flat angles P-C4'-P energy: -50.474
tors. eta vs tors. theta energy: -90.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1066.300988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.300988 (E_RNA)
where:
Base-Base interactions energy: -761.809
where: short stacking energy: -316.624
Base-Backbone interact. energy: -0.838
local terms energy: -303.654076
where:
bonds (distance) C4'-P energy: -54.713
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -61.915
flat angles P-C4'-P energy: -34.133
tors. eta vs tors. theta energy: -97.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1029.155784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.155784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.155784 (E_RNA)
where:
Base-Base interactions energy: -709.018
where: short stacking energy: -315.772
Base-Backbone interact. energy: -1.556
local terms energy: -318.582218
where:
bonds (distance) C4'-P energy: -58.705
bonds (distance) P-C4' energy: -53.670
flat angles C4'-P-C4' energy: -64.370
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -95.014
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: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1009.651650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.651650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.651650 (E_RNA)
where:
Base-Base interactions energy: -701.288
where: short stacking energy: -286.926
Base-Backbone interact. energy: 4.388
local terms energy: -312.751531
where:
bonds (distance) C4'-P energy: -56.673
bonds (distance) P-C4' energy: -59.929
flat angles C4'-P-C4' energy: -65.379
flat angles P-C4'-P energy: -51.599
tors. eta vs tors. theta energy: -79.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -923.567446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.567446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.567446 (E_RNA)
where:
Base-Base interactions energy: -642.815
where: short stacking energy: -273.860
Base-Backbone interact. energy: -1.159
local terms energy: -279.593775
where:
bonds (distance) C4'-P energy: -56.751
bonds (distance) P-C4' energy: -53.891
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -35.491
tors. eta vs tors. theta energy: -76.623
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: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -819.871204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.871204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.871204 (E_RNA)
where:
Base-Base interactions energy: -570.899
where: short stacking energy: -239.986
Base-Backbone interact. energy: -1.317
local terms energy: -247.655012
where:
bonds (distance) C4'-P energy: -37.743
bonds (distance) P-C4' energy: -55.327
flat angles C4'-P-C4' energy: -69.407
flat angles P-C4'-P energy: -23.824
tors. eta vs tors. theta energy: -61.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -665.284472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.284472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.284472 (E_RNA)
where:
Base-Base interactions energy: -436.446
where: short stacking energy: -188.243
Base-Backbone interact. energy: -1.034
local terms energy: -227.804994
where:
bonds (distance) C4'-P energy: -42.532
bonds (distance) P-C4' energy: -62.383
flat angles C4'-P-C4' energy: -50.489
flat angles P-C4'-P energy: -37.382
tors. eta vs tors. theta energy: -35.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -434.046817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.046817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.046817 (E_RNA)
where:
Base-Base interactions energy: -260.874
where: short stacking energy: -152.409
Base-Backbone interact. energy: 2.701
local terms energy: -175.874555
where:
bonds (distance) C4'-P energy: -39.028
bonds (distance) P-C4' energy: -54.747
flat angles C4'-P-C4' energy: -36.053
flat angles P-C4'-P energy: -26.417
tors. eta vs tors. theta energy: -19.629
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: 10, replica: 4
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -513.379528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.379528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.379528 (E_RNA)
where:
Base-Base interactions energy: -296.307
where: short stacking energy: -151.868
Base-Backbone interact. energy: 2.077
local terms energy: -219.150069
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -59.829
flat angles C4'-P-C4' energy: -53.583
flat angles P-C4'-P energy: -43.337
tors. eta vs tors. theta energy: -13.197
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: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1165.603499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.603499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.603499 (E_RNA)
where:
Base-Base interactions energy: -840.607
where: short stacking energy: -340.667
Base-Backbone interact. energy: -0.394
local terms energy: -324.602637
where:
bonds (distance) C4'-P energy: -53.432
bonds (distance) P-C4' energy: -64.564
flat angles C4'-P-C4' energy: -72.857
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -90.679
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1118.276516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.276516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.276516 (E_RNA)
where:
Base-Base interactions energy: -770.468
where: short stacking energy: -325.679
Base-Backbone interact. energy: -1.719
local terms energy: -346.089729
where:
bonds (distance) C4'-P energy: -69.012
bonds (distance) P-C4' energy: -66.618
flat angles C4'-P-C4' energy: -69.287
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -95.222
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: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1071.881593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.881593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.881593 (E_RNA)
where:
Base-Base interactions energy: -754.091
where: short stacking energy: -304.559
Base-Backbone interact. energy: -0.852
local terms energy: -316.938578
where:
bonds (distance) C4'-P energy: -59.405
bonds (distance) P-C4' energy: -54.956
flat angles C4'-P-C4' energy: -70.142
flat angles P-C4'-P energy: -40.928
tors. eta vs tors. theta energy: -91.508
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: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1012.862689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.862689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.862689 (E_RNA)
where:
Base-Base interactions energy: -718.163
where: short stacking energy: -289.615
Base-Backbone interact. energy: -1.724
local terms energy: -292.975774
where:
bonds (distance) C4'-P energy: -52.451
bonds (distance) P-C4' energy: -59.644
flat angles C4'-P-C4' energy: -65.759
flat angles P-C4'-P energy: -35.381
tors. eta vs tors. theta energy: -79.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1007.365194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.365194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.365194 (E_RNA)
where:
Base-Base interactions energy: -704.898
where: short stacking energy: -292.194
Base-Backbone interact. energy: -1.242
local terms energy: -301.225309
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -60.663
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: -86.826
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: 6, replica: 5
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -926.953613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.953613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.953613 (E_RNA)
where:
Base-Base interactions energy: -638.413
where: short stacking energy: -279.597
Base-Backbone interact. energy: -1.094
local terms energy: -287.447206
where:
bonds (distance) C4'-P energy: -50.471
bonds (distance) P-C4' energy: -61.641
flat angles C4'-P-C4' energy: -62.887
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -80.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -843.861772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.861772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.861772 (E_RNA)
where:
Base-Base interactions energy: -576.557
where: short stacking energy: -267.179
Base-Backbone interact. energy: 2.093
local terms energy: -269.397657
where:
bonds (distance) C4'-P energy: -40.378
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -56.387
flat angles P-C4'-P energy: -42.845
tors. eta vs tors. theta energy: -71.727
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: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -618.274806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.274806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.274806 (E_RNA)
where:
Base-Base interactions energy: -405.170
where: short stacking energy: -181.643
Base-Backbone interact. energy: 0.147
local terms energy: -213.251796
where:
bonds (distance) C4'-P energy: -45.360
bonds (distance) P-C4' energy: -47.904
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -38.584
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -430.359828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.359828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.359828 (E_RNA)
where:
Base-Base interactions energy: -256.474
where: short stacking energy: -122.092
Base-Backbone interact. energy: -1.175
local terms energy: -172.710634
where:
bonds (distance) C4'-P energy: -55.410
bonds (distance) P-C4' energy: -54.992
flat angles C4'-P-C4' energy: -35.477
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -519.929611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.929611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.929611 (E_RNA)
where:
Base-Base interactions energy: -319.722
where: short stacking energy: -147.110
Base-Backbone interact. energy: 1.520
local terms energy: -201.727526
where:
bonds (distance) C4'-P energy: -51.940
bonds (distance) P-C4' energy: -53.615
flat angles C4'-P-C4' energy: -43.037
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1153.913517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.913517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.913517 (E_RNA)
where:
Base-Base interactions energy: -832.614
where: short stacking energy: -338.825
Base-Backbone interact. energy: 2.827
local terms energy: -324.126534
where:
bonds (distance) C4'-P energy: -65.251
bonds (distance) P-C4' energy: -58.083
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -49.028
tors. eta vs tors. theta energy: -93.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1108.962934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.962934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.962934 (E_RNA)
where:
Base-Base interactions energy: -779.953
where: short stacking energy: -315.401
Base-Backbone interact. energy: -1.503
local terms energy: -327.506117
where:
bonds (distance) C4'-P energy: -58.887
bonds (distance) P-C4' energy: -65.100
flat angles C4'-P-C4' energy: -70.528
flat angles P-C4'-P energy: -38.941
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: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1078.596787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.596787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.596787 (E_RNA)
where:
Base-Base interactions energy: -747.972
where: short stacking energy: -307.100
Base-Backbone interact. energy: -0.407
local terms energy: -330.217255
where:
bonds (distance) C4'-P energy: -66.989
bonds (distance) P-C4' energy: -56.734
flat angles C4'-P-C4' energy: -66.803
flat angles P-C4'-P energy: -44.094
tors. eta vs tors. theta energy: -95.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1020.617054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.617054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.617054 (E_RNA)
where:
Base-Base interactions energy: -709.263
where: short stacking energy: -312.544
Base-Backbone interact. energy: 1.603
local terms energy: -312.956958
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -64.475
flat angles P-C4'-P energy: -49.376
tors. eta vs tors. theta energy: -88.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -987.331215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.331215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.331215 (E_RNA)
where:
Base-Base interactions energy: -679.615
where: short stacking energy: -278.392
Base-Backbone interact. energy: -0.563
local terms energy: -307.152948
where:
bonds (distance) C4'-P energy: -58.233
bonds (distance) P-C4' energy: -61.575
flat angles C4'-P-C4' energy: -65.949
flat angles P-C4'-P energy: -40.534
tors. eta vs tors. theta energy: -80.863
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -941.561329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.561329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.561329 (E_RNA)
where:
Base-Base interactions energy: -651.328
where: short stacking energy: -284.385
Base-Backbone interact. energy: 2.015
local terms energy: -292.247827
where:
bonds (distance) C4'-P energy: -62.962
bonds (distance) P-C4' energy: -54.539
flat angles C4'-P-C4' energy: -59.605
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -78.861
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: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -850.238273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.238273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.238273 (E_RNA)
where:
Base-Base interactions energy: -586.758
where: short stacking energy: -255.172
Base-Backbone interact. energy: -0.715
local terms energy: -262.765288
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -45.721
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -74.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -686.538247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.538247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.538247 (E_RNA)
where:
Base-Base interactions energy: -457.076
where: short stacking energy: -198.534
Base-Backbone interact. energy: 0.811
local terms energy: -230.272968
where:
bonds (distance) C4'-P energy: -37.457
bonds (distance) P-C4' energy: -60.399
flat angles C4'-P-C4' energy: -54.593
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: -37.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -541.503646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.503646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.503646 (E_RNA)
where:
Base-Base interactions energy: -349.761
where: short stacking energy: -169.431
Base-Backbone interact. energy: -1.026
local terms energy: -190.716588
where:
bonds (distance) C4'-P energy: -38.680
bonds (distance) P-C4' energy: -49.412
flat angles C4'-P-C4' energy: -46.590
flat angles P-C4'-P energy: -22.652
tors. eta vs tors. theta energy: -33.382
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: 350
Temperature: 1.350000
Total energy: -372.465656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.465656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.465656 (E_RNA)
where:
Base-Base interactions energy: -200.204
where: short stacking energy: -115.241
Base-Backbone interact. energy: 2.741
local terms energy: -175.002216
where:
bonds (distance) C4'-P energy: -40.039
bonds (distance) P-C4' energy: -49.658
flat angles C4'-P-C4' energy: -39.482
flat angles P-C4'-P energy: -33.332
tors. eta vs tors. theta energy: -12.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1161.178296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.178296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.178296 (E_RNA)
where:
Base-Base interactions energy: -831.582
where: short stacking energy: -329.292
Base-Backbone interact. energy: -1.192
local terms energy: -328.404456
where:
bonds (distance) C4'-P energy: -67.630
bonds (distance) P-C4' energy: -56.464
flat angles C4'-P-C4' energy: -62.054
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -92.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1106.741152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.741152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.741152 (E_RNA)
where:
Base-Base interactions energy: -780.282
where: short stacking energy: -327.395
Base-Backbone interact. energy: -1.702
local terms energy: -324.757538
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -50.784
flat angles C4'-P-C4' energy: -61.864
flat angles P-C4'-P energy: -50.350
tors. eta vs tors. theta energy: -101.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1062.944432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.944432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.944432 (E_RNA)
where:
Base-Base interactions energy: -746.710
where: short stacking energy: -297.351
Base-Backbone interact. energy: -2.017
local terms energy: -314.218278
where:
bonds (distance) C4'-P energy: -63.081
bonds (distance) P-C4' energy: -52.122
flat angles C4'-P-C4' energy: -69.580
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1005.873840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.873840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.873840 (E_RNA)
where:
Base-Base interactions energy: -704.131
where: short stacking energy: -297.460
Base-Backbone interact. energy: -0.707
local terms energy: -301.035082
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -89.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -996.332151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.332151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.332151 (E_RNA)
where:
Base-Base interactions energy: -689.048
where: short stacking energy: -292.518
Base-Backbone interact. energy: -0.285
local terms energy: -306.999870
where:
bonds (distance) C4'-P energy: -54.180
bonds (distance) P-C4' energy: -61.918
flat angles C4'-P-C4' energy: -54.797
flat angles P-C4'-P energy: -45.584
tors. eta vs tors. theta energy: -90.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -922.275018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.275018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.275018 (E_RNA)
where:
Base-Base interactions energy: -634.625
where: short stacking energy: -263.518
Base-Backbone interact. energy: -0.681
local terms energy: -286.968736
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -55.631
flat angles C4'-P-C4' energy: -61.377
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -81.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -832.371643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.371643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.371643 (E_RNA)
where:
Base-Base interactions energy: -576.392
where: short stacking energy: -257.835
Base-Backbone interact. energy: -0.963
local terms energy: -255.017223
where:
bonds (distance) C4'-P energy: -48.229
bonds (distance) P-C4' energy: -49.734
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -38.164
tors. eta vs tors. theta energy: -65.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -718.103469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.103469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.103469 (E_RNA)
where:
Base-Base interactions energy: -491.286
where: short stacking energy: -202.383
Base-Backbone interact. energy: -1.563
local terms energy: -225.254023
where:
bonds (distance) C4'-P energy: -49.217
bonds (distance) P-C4' energy: -47.243
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -27.704
tors. eta vs tors. theta energy: -47.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -532.481379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.481379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.481379 (E_RNA)
where:
Base-Base interactions energy: -331.341
where: short stacking energy: -160.938
Base-Backbone interact. energy: 0.111
local terms energy: -201.251077
where:
bonds (distance) C4'-P energy: -42.714
bonds (distance) P-C4' energy: -47.702
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -27.299
tors. eta vs tors. theta energy: -30.062
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: 351
Temperature: 1.350000
Total energy: -389.613964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.613964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.613964 (E_RNA)
where:
Base-Base interactions energy: -210.880
where: short stacking energy: -95.661
Base-Backbone interact. energy: -1.056
local terms energy: -177.678794
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -38.315
flat angles C4'-P-C4' energy: -47.535
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -6.662
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: 3
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1150.350553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.350553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.350553 (E_RNA)
where:
Base-Base interactions energy: -827.169
where: short stacking energy: -344.164
Base-Backbone interact. energy: -2.764
local terms energy: -320.417196
where:
bonds (distance) C4'-P energy: -60.601
bonds (distance) P-C4' energy: -62.672
flat angles C4'-P-C4' energy: -65.375
flat angles P-C4'-P energy: -38.791
tors. eta vs tors. theta energy: -92.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1109.494654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.494654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.494654 (E_RNA)
where:
Base-Base interactions energy: -781.917
where: short stacking energy: -338.186
Base-Backbone interact. energy: -1.323
local terms energy: -326.255466
where:
bonds (distance) C4'-P energy: -64.689
bonds (distance) P-C4' energy: -57.646
flat angles C4'-P-C4' energy: -67.485
flat angles P-C4'-P energy: -36.714
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: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1032.632961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.632961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.632961 (E_RNA)
where:
Base-Base interactions energy: -703.454
where: short stacking energy: -284.946
Base-Backbone interact. energy: -2.071
local terms energy: -327.107784
where:
bonds (distance) C4'-P energy: -64.557
bonds (distance) P-C4' energy: -66.325
flat angles C4'-P-C4' energy: -69.215
flat angles P-C4'-P energy: -44.803
tors. eta vs tors. theta energy: -82.207
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: 4, replica: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1022.293931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.293931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.293931 (E_RNA)
where:
Base-Base interactions energy: -716.773
where: short stacking energy: -277.836
Base-Backbone interact. energy: -1.262
local terms energy: -304.259323
where:
bonds (distance) C4'-P energy: -51.502
bonds (distance) P-C4' energy: -66.014
flat angles C4'-P-C4' energy: -59.268
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: -85.729
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: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1005.784889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.784889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.784889 (E_RNA)
where:
Base-Base interactions energy: -711.361
where: short stacking energy: -298.038
Base-Backbone interact. energy: 0.086
local terms energy: -294.510663
where:
bonds (distance) C4'-P energy: -50.860
bonds (distance) P-C4' energy: -54.247
flat angles C4'-P-C4' energy: -62.370
flat angles P-C4'-P energy: -42.584
tors. eta vs tors. theta energy: -84.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -926.793521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.793521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.793521 (E_RNA)
where:
Base-Base interactions energy: -643.841
where: short stacking energy: -284.096
Base-Backbone interact. energy: -0.274
local terms energy: -282.677668
where:
bonds (distance) C4'-P energy: -59.998
bonds (distance) P-C4' energy: -49.708
flat angles C4'-P-C4' energy: -64.526
flat angles P-C4'-P energy: -30.640
tors. eta vs tors. theta energy: -77.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -845.846365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.846365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.846365 (E_RNA)
where:
Base-Base interactions energy: -564.611
where: short stacking energy: -241.561
Base-Backbone interact. energy: 0.230
local terms energy: -281.465018
where:
bonds (distance) C4'-P energy: -64.630
bonds (distance) P-C4' energy: -56.419
flat angles C4'-P-C4' energy: -62.632
flat angles P-C4'-P energy: -32.502
tors. eta vs tors. theta energy: -65.282
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: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -685.801072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.801072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.801072 (E_RNA)
where:
Base-Base interactions energy: -443.921
where: short stacking energy: -179.304
Base-Backbone interact. energy: -1.157
local terms energy: -240.722970
where:
bonds (distance) C4'-P energy: -63.304
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -59.921
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -29.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -542.876891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.876891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.876891 (E_RNA)
where:
Base-Base interactions energy: -362.347
where: short stacking energy: -174.642
Base-Backbone interact. energy: -0.166
local terms energy: -180.363728
where:
bonds (distance) C4'-P energy: -31.976
bonds (distance) P-C4' energy: -45.448
flat angles C4'-P-C4' energy: -44.235
flat angles P-C4'-P energy: -27.046
tors. eta vs tors. theta energy: -31.658
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: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -387.060397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.060397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.060397 (E_RNA)
where:
Base-Base interactions energy: -193.828
where: short stacking energy: -112.002
Base-Backbone interact. energy: -2.256
local terms energy: -190.976074
where:
bonds (distance) C4'-P energy: -58.106
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -38.205
flat angles P-C4'-P energy: -36.558
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1151.532403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.532403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.532403 (E_RNA)
where:
Base-Base interactions energy: -825.655
where: short stacking energy: -337.203
Base-Backbone interact. energy: -1.542
local terms energy: -324.335661
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -65.524
flat angles C4'-P-C4' energy: -70.044
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -98.173
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: 353
Temperature: 0.950000
Total energy: -1041.184721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.184721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.184721 (E_RNA)
where:
Base-Base interactions energy: -738.126
where: short stacking energy: -318.493
Base-Backbone interact. energy: 0.127
local terms energy: -303.185620
where:
bonds (distance) C4'-P energy: -56.751
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -68.798
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -78.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1061.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.219297 (E_RNA)
where:
Base-Base interactions energy: -740.857
where: short stacking energy: -309.767
Base-Backbone interact. energy: -1.191
local terms energy: -319.170952
where:
bonds (distance) C4'-P energy: -43.251
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -66.351
flat angles P-C4'-P energy: -47.590
tors. eta vs tors. theta energy: -98.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1023.657750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.657750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.657750 (E_RNA)
where:
Base-Base interactions energy: -729.269
where: short stacking energy: -311.607
Base-Backbone interact. energy: 1.470
local terms energy: -295.858561
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -54.655
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -36.492
tors. eta vs tors. theta energy: -83.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -969.113733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.113733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.113733 (E_RNA)
where:
Base-Base interactions energy: -668.316
where: short stacking energy: -277.359
Base-Backbone interact. energy: 0.266
local terms energy: -301.063338
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -55.849
flat angles C4'-P-C4' energy: -69.664
flat angles P-C4'-P energy: -40.938
tors. eta vs tors. theta energy: -81.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -936.628278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.628278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.628278 (E_RNA)
where:
Base-Base interactions energy: -653.911
where: short stacking energy: -280.375
Base-Backbone interact. energy: -1.371
local terms energy: -281.346209
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -73.297
flat angles P-C4'-P energy: -33.141
tors. eta vs tors. theta energy: -74.908
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: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -862.415228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.415228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.415228 (E_RNA)
where:
Base-Base interactions energy: -596.452
where: short stacking energy: -268.982
Base-Backbone interact. energy: -0.795
local terms energy: -265.168054
where:
bonds (distance) C4'-P energy: -55.635
bonds (distance) P-C4' energy: -47.429
flat angles C4'-P-C4' energy: -58.772
flat angles P-C4'-P energy: -33.149
tors. eta vs tors. theta energy: -70.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -710.949793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.949793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.949793 (E_RNA)
where:
Base-Base interactions energy: -464.308
where: short stacking energy: -218.387
Base-Backbone interact. energy: 0.131
local terms energy: -246.772515
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -56.776
flat angles C4'-P-C4' energy: -48.069
flat angles P-C4'-P energy: -40.135
tors. eta vs tors. theta energy: -50.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -555.849896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.849896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.849896 (E_RNA)
where:
Base-Base interactions energy: -360.749
where: short stacking energy: -180.627
Base-Backbone interact. energy: 0.547
local terms energy: -195.647981
where:
bonds (distance) C4'-P energy: -31.761
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -45.534
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -26.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -400.652221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.652221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.652221 (E_RNA)
where:
Base-Base interactions energy: -219.303
where: short stacking energy: -118.671
Base-Backbone interact. energy: -1.190
local terms energy: -180.159746
where:
bonds (distance) C4'-P energy: -47.190
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -54.274
flat angles P-C4'-P energy: -27.801
tors. eta vs tors. theta energy: -3.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1160.054667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.054667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.054667 (E_RNA)
where:
Base-Base interactions energy: -839.804
where: short stacking energy: -351.527
Base-Backbone interact. energy: -2.081
local terms energy: -318.169862
where:
bonds (distance) C4'-P energy: -57.374
bonds (distance) P-C4' energy: -61.289
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -89.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1059.085581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.085581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.085581 (E_RNA)
where:
Base-Base interactions energy: -738.046
where: short stacking energy: -313.583
Base-Backbone interact. energy: -0.773
local terms energy: -320.266336
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -61.398
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -46.179
tors. eta vs tors. theta energy: -86.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1063.694784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.694784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.694784 (E_RNA)
where:
Base-Base interactions energy: -753.246
where: short stacking energy: -314.481
Base-Backbone interact. energy: -0.325
local terms energy: -310.124610
where:
bonds (distance) C4'-P energy: -46.299
bonds (distance) P-C4' energy: -58.429
flat angles C4'-P-C4' energy: -69.981
flat angles P-C4'-P energy: -42.989
tors. eta vs tors. theta energy: -92.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1039.079591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.079591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.079591 (E_RNA)
where:
Base-Base interactions energy: -743.913
where: short stacking energy: -319.974
Base-Backbone interact. energy: 1.445
local terms energy: -296.611425
where:
bonds (distance) C4'-P energy: -58.563
bonds (distance) P-C4' energy: -52.483
flat angles C4'-P-C4' energy: -58.720
flat angles P-C4'-P energy: -36.666
tors. eta vs tors. theta energy: -90.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -954.758340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.758340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.758340 (E_RNA)
where:
Base-Base interactions energy: -668.716
where: short stacking energy: -297.409
Base-Backbone interact. energy: -2.168
local terms energy: -283.873527
where:
bonds (distance) C4'-P energy: -47.601
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -74.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -968.508130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.508130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.508130 (E_RNA)
where:
Base-Base interactions energy: -696.589
where: short stacking energy: -287.669
Base-Backbone interact. energy: -1.008
local terms energy: -270.910999
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -41.331
flat angles C4'-P-C4' energy: -54.201
flat angles P-C4'-P energy: -49.610
tors. eta vs tors. theta energy: -76.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -856.907963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.907963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.907963 (E_RNA)
where:
Base-Base interactions energy: -603.507
where: short stacking energy: -270.533
Base-Backbone interact. energy: -0.982
local terms energy: -252.419406
where:
bonds (distance) C4'-P energy: -43.712
bonds (distance) P-C4' energy: -46.943
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -68.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -698.289648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.289648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.289648 (E_RNA)
where:
Base-Base interactions energy: -454.428
where: short stacking energy: -205.236
Base-Backbone interact. energy: -1.044
local terms energy: -242.818278
where:
bonds (distance) C4'-P energy: -56.903
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -52.009
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -53.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -565.940071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.940071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.940071 (E_RNA)
where:
Base-Base interactions energy: -327.821
where: short stacking energy: -173.390
Base-Backbone interact. energy: 0.070
local terms energy: -238.189132
where:
bonds (distance) C4'-P energy: -53.556
bonds (distance) P-C4' energy: -51.735
flat angles C4'-P-C4' energy: -52.949
flat angles P-C4'-P energy: -36.579
tors. eta vs tors. theta energy: -43.370
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: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -404.266028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.266028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.266028 (E_RNA)
where:
Base-Base interactions energy: -211.229
where: short stacking energy: -135.064
Base-Backbone interact. energy: 0.521
local terms energy: -193.558974
where:
bonds (distance) C4'-P energy: -31.431
bonds (distance) P-C4' energy: -58.050
flat angles C4'-P-C4' energy: -52.094
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1172.393039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.393039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.393039 (E_RNA)
where:
Base-Base interactions energy: -836.919
where: short stacking energy: -345.950
Base-Backbone interact. energy: -1.085
local terms energy: -334.388748
where:
bonds (distance) C4'-P energy: -65.686
bonds (distance) P-C4' energy: -68.821
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -93.220
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: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1100.169033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.169033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.169033 (E_RNA)
where:
Base-Base interactions energy: -773.940
where: short stacking energy: -330.291
Base-Backbone interact. energy: -0.530
local terms energy: -325.698937
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -61.507
flat angles C4'-P-C4' energy: -65.890
flat angles P-C4'-P energy: -50.310
tors. eta vs tors. theta energy: -97.281
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1045.572117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.572117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.572117 (E_RNA)
where:
Base-Base interactions energy: -738.956
where: short stacking energy: -308.193
Base-Backbone interact. energy: 1.347
local terms energy: -307.963504
where:
bonds (distance) C4'-P energy: -59.633
bonds (distance) P-C4' energy: -60.726
flat angles C4'-P-C4' energy: -63.285
flat angles P-C4'-P energy: -37.062
tors. eta vs tors. theta energy: -87.257
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: 1
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1049.395612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.395612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.395612 (E_RNA)
where:
Base-Base interactions energy: -726.296
where: short stacking energy: -321.829
Base-Backbone interact. energy: -0.386
local terms energy: -322.713649
where:
bonds (distance) C4'-P energy: -52.516
bonds (distance) P-C4' energy: -60.013
flat angles C4'-P-C4' energy: -68.535
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -92.350
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: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -966.508226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.508226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.508226 (E_RNA)
where:
Base-Base interactions energy: -678.841
where: short stacking energy: -298.419
Base-Backbone interact. energy: -0.964
local terms energy: -286.703246
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -54.782
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -78.398
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: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -975.296979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.296979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.296979 (E_RNA)
where:
Base-Base interactions energy: -708.223
where: short stacking energy: -290.700
Base-Backbone interact. energy: 0.538
local terms energy: -267.612217
where:
bonds (distance) C4'-P energy: -40.486
bonds (distance) P-C4' energy: -48.704
flat angles C4'-P-C4' energy: -61.402
flat angles P-C4'-P energy: -32.534
tors. eta vs tors. theta energy: -84.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -879.618506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.618506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.618506 (E_RNA)
where:
Base-Base interactions energy: -586.320
where: short stacking energy: -249.030
Base-Backbone interact. energy: -0.331
local terms energy: -292.966969
where:
bonds (distance) C4'-P energy: -63.368
bonds (distance) P-C4' energy: -57.869
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -66.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -686.304318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.304318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.304318 (E_RNA)
where:
Base-Base interactions energy: -454.043
where: short stacking energy: -209.596
Base-Backbone interact. energy: 0.423
local terms energy: -232.684887
where:
bonds (distance) C4'-P energy: -43.963
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -59.544
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -41.324
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: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -563.979879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.979879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.979879 (E_RNA)
where:
Base-Base interactions energy: -359.564
where: short stacking energy: -183.206
Base-Backbone interact. energy: -0.471
local terms energy: -203.944541
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -46.395
flat angles C4'-P-C4' energy: -48.241
flat angles P-C4'-P energy: -37.252
tors. eta vs tors. theta energy: -30.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -391.964896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.964896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.964896 (E_RNA)
where:
Base-Base interactions energy: -195.884
where: short stacking energy: -114.839
Base-Backbone interact. energy: -0.935
local terms energy: -195.146548
where:
bonds (distance) C4'-P energy: -42.324
bonds (distance) P-C4' energy: -55.457
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -29.483
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1120.689490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.689490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.689490 (E_RNA)
where:
Base-Base interactions energy: -790.551
where: short stacking energy: -330.954
Base-Backbone interact. energy: -0.538
local terms energy: -329.600370
where:
bonds (distance) C4'-P energy: -61.755
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -69.560
flat angles P-C4'-P energy: -45.402
tors. eta vs tors. theta energy: -93.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1137.761246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.761246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.761246 (E_RNA)
where:
Base-Base interactions energy: -821.698
where: short stacking energy: -335.180
Base-Backbone interact. energy: -1.139
local terms energy: -314.924658
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -63.494
flat angles C4'-P-C4' energy: -67.575
flat angles P-C4'-P energy: -38.462
tors. eta vs tors. theta energy: -88.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1053.924608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.924608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.924608 (E_RNA)
where:
Base-Base interactions energy: -737.199
where: short stacking energy: -316.013
Base-Backbone interact. energy: -0.246
local terms energy: -316.479879
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -59.769
flat angles C4'-P-C4' energy: -64.965
flat angles P-C4'-P energy: -49.020
tors. eta vs tors. theta energy: -87.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -999.252923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.252923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.252923 (E_RNA)
where:
Base-Base interactions energy: -710.013
where: short stacking energy: -290.460
Base-Backbone interact. energy: -1.215
local terms energy: -288.025299
where:
bonds (distance) C4'-P energy: -52.934
bonds (distance) P-C4' energy: -51.333
flat angles C4'-P-C4' energy: -66.410
flat angles P-C4'-P energy: -36.023
tors. eta vs tors. theta energy: -81.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1032.276926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.276926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.276926 (E_RNA)
where:
Base-Base interactions energy: -718.255
where: short stacking energy: -325.234
Base-Backbone interact. energy: 1.493
local terms energy: -315.514437
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -51.783
flat angles C4'-P-C4' energy: -67.602
flat angles P-C4'-P energy: -41.783
tors. eta vs tors. theta energy: -96.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -933.048022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.048022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.048022 (E_RNA)
where:
Base-Base interactions energy: -639.331
where: short stacking energy: -291.657
Base-Backbone interact. energy: -1.306
local terms energy: -292.411054
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -48.163
flat angles C4'-P-C4' energy: -62.302
flat angles P-C4'-P energy: -40.540
tors. eta vs tors. theta energy: -86.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -854.410430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.410430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.410430 (E_RNA)
where:
Base-Base interactions energy: -584.652
where: short stacking energy: -246.199
Base-Backbone interact. energy: -1.255
local terms energy: -268.503345
where:
bonds (distance) C4'-P energy: -46.927
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -65.395
flat angles P-C4'-P energy: -32.610
tors. eta vs tors. theta energy: -60.120
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: 356
Temperature: 1.250000
Total energy: -680.934708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.934708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.934708 (E_RNA)
where:
Base-Base interactions energy: -451.602
where: short stacking energy: -215.207
Base-Backbone interact. energy: 2.178
local terms energy: -231.509995
where:
bonds (distance) C4'-P energy: -50.419
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -51.958
flat angles P-C4'-P energy: -34.656
tors. eta vs tors. theta energy: -42.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -526.921570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.921570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.921570 (E_RNA)
where:
Base-Base interactions energy: -337.504
where: short stacking energy: -159.709
Base-Backbone interact. energy: -2.045
local terms energy: -187.372718
where:
bonds (distance) C4'-P energy: -38.206
bonds (distance) P-C4' energy: -46.997
flat angles C4'-P-C4' energy: -47.540
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -35.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -381.213374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.213374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.213374 (E_RNA)
where:
Base-Base interactions energy: -228.821
where: short stacking energy: -119.972
Base-Backbone interact. energy: 0.390
local terms energy: -152.781986
where:
bonds (distance) C4'-P energy: -54.563
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -39.212
flat angles P-C4'-P energy: -15.385
tors. eta vs tors. theta energy: 2.587
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: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1111.408514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.408514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.408514 (E_RNA)
where:
Base-Base interactions energy: -780.675
where: short stacking energy: -330.775
Base-Backbone interact. energy: -0.803
local terms energy: -329.930869
where:
bonds (distance) C4'-P energy: -57.980
bonds (distance) P-C4' energy: -60.699
flat angles C4'-P-C4' energy: -65.116
flat angles P-C4'-P energy: -45.916
tors. eta vs tors. theta energy: -100.220
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: 357
Temperature: 0.950000
Total energy: -1147.032782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.032782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.032782 (E_RNA)
where:
Base-Base interactions energy: -833.762
where: short stacking energy: -338.459
Base-Backbone interact. energy: -0.490
local terms energy: -312.781507
where:
bonds (distance) C4'-P energy: -67.300
bonds (distance) P-C4' energy: -52.046
flat angles C4'-P-C4' energy: -63.409
flat angles P-C4'-P energy: -40.735
tors. eta vs tors. theta energy: -89.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1061.586165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.586165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.586165 (E_RNA)
where:
Base-Base interactions energy: -732.739
where: short stacking energy: -312.792
Base-Backbone interact. energy: -0.772
local terms energy: -328.075309
where:
bonds (distance) C4'-P energy: -60.217
bonds (distance) P-C4' energy: -60.518
flat angles C4'-P-C4' energy: -71.070
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -88.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1020.857345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.857345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.857345 (E_RNA)
where:
Base-Base interactions energy: -718.397
where: short stacking energy: -307.716
Base-Backbone interact. energy: -1.994
local terms energy: -300.466255
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -44.086
flat angles C4'-P-C4' energy: -67.804
flat angles P-C4'-P energy: -41.604
tors. eta vs tors. theta energy: -85.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -991.423430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.423430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.423430 (E_RNA)
where:
Base-Base interactions energy: -706.842
where: short stacking energy: -290.493
Base-Backbone interact. energy: -1.267
local terms energy: -283.314163
where:
bonds (distance) C4'-P energy: -51.959
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -36.355
tors. eta vs tors. theta energy: -81.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -936.777779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.777779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.777779 (E_RNA)
where:
Base-Base interactions energy: -648.263
where: short stacking energy: -271.714
Base-Backbone interact. energy: 3.560
local terms energy: -292.074452
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -53.355
flat angles C4'-P-C4' energy: -62.528
flat angles P-C4'-P energy: -40.138
tors. eta vs tors. theta energy: -76.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -846.128682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.128682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.128682 (E_RNA)
where:
Base-Base interactions energy: -572.282
where: short stacking energy: -260.656
Base-Backbone interact. energy: 0.692
local terms energy: -274.538040
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -52.991
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -65.573
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: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -648.215911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.215911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.215911 (E_RNA)
where:
Base-Base interactions energy: -413.166
where: short stacking energy: -199.538
Base-Backbone interact. energy: 0.467
local terms energy: -235.516950
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -40.633
flat angles C4'-P-C4' energy: -54.288
flat angles P-C4'-P energy: -43.187
tors. eta vs tors. theta energy: -46.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -504.609466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.609466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.609466 (E_RNA)
where:
Base-Base interactions energy: -306.624
where: short stacking energy: -162.958
Base-Backbone interact. energy: -1.185
local terms energy: -196.800562
where:
bonds (distance) C4'-P energy: -34.162
bonds (distance) P-C4' energy: -54.915
flat angles C4'-P-C4' energy: -53.979
flat angles P-C4'-P energy: -40.375
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -422.241912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.241912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.241912 (E_RNA)
where:
Base-Base interactions energy: -228.171
where: short stacking energy: -121.207
Base-Backbone interact. energy: -2.720
local terms energy: -191.351446
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -42.508
flat angles P-C4'-P energy: -21.081
tors. eta vs tors. theta energy: -21.299
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: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1172.537412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.537412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.537412 (E_RNA)
where:
Base-Base interactions energy: -831.599
where: short stacking energy: -347.299
Base-Backbone interact. energy: -1.729
local terms energy: -339.209214
where:
bonds (distance) C4'-P energy: -54.101
bonds (distance) P-C4' energy: -68.632
flat angles C4'-P-C4' energy: -73.295
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -90.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1104.289491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.289491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.289491 (E_RNA)
where:
Base-Base interactions energy: -769.640
where: short stacking energy: -335.382
Base-Backbone interact. energy: -0.874
local terms energy: -333.774766
where:
bonds (distance) C4'-P energy: -62.921
bonds (distance) P-C4' energy: -62.492
flat angles C4'-P-C4' energy: -68.638
flat angles P-C4'-P energy: -49.524
tors. eta vs tors. theta energy: -90.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1064.749965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.749965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.749965 (E_RNA)
where:
Base-Base interactions energy: -755.940
where: short stacking energy: -323.041
Base-Backbone interact. energy: -3.132
local terms energy: -305.678230
where:
bonds (distance) C4'-P energy: -49.633
bonds (distance) P-C4' energy: -56.167
flat angles C4'-P-C4' energy: -71.568
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -87.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -998.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.041172 (E_RNA)
where:
Base-Base interactions energy: -690.755
where: short stacking energy: -297.576
Base-Backbone interact. energy: 0.239
local terms energy: -307.524618
where:
bonds (distance) C4'-P energy: -55.142
bonds (distance) P-C4' energy: -61.619
flat angles C4'-P-C4' energy: -61.137
flat angles P-C4'-P energy: -46.986
tors. eta vs tors. theta energy: -82.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -948.244813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.244813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.244813 (E_RNA)
where:
Base-Base interactions energy: -670.123
where: short stacking energy: -279.312
Base-Backbone interact. energy: -0.619
local terms energy: -277.503188
where:
bonds (distance) C4'-P energy: -43.465
bonds (distance) P-C4' energy: -53.919
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -41.550
tors. eta vs tors. theta energy: -72.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -943.814471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.814471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.814471 (E_RNA)
where:
Base-Base interactions energy: -678.595
where: short stacking energy: -282.419
Base-Backbone interact. energy: -0.013
local terms energy: -265.206924
where:
bonds (distance) C4'-P energy: -42.570
bonds (distance) P-C4' energy: -44.867
flat angles C4'-P-C4' energy: -55.300
flat angles P-C4'-P energy: -49.630
tors. eta vs tors. theta energy: -72.841
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: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -817.923772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.923772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.923772 (E_RNA)
where:
Base-Base interactions energy: -576.431
where: short stacking energy: -245.826
Base-Backbone interact. energy: -1.130
local terms energy: -240.363197
where:
bonds (distance) C4'-P energy: -40.748
bonds (distance) P-C4' energy: -51.150
flat angles C4'-P-C4' energy: -52.822
flat angles P-C4'-P energy: -34.746
tors. eta vs tors. theta energy: -60.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -643.965917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.965917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.965917 (E_RNA)
where:
Base-Base interactions energy: -433.830
where: short stacking energy: -192.685
Base-Backbone interact. energy: -2.477
local terms energy: -207.657996
where:
bonds (distance) C4'-P energy: -43.711
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -50.571
flat angles P-C4'-P energy: -29.341
tors. eta vs tors. theta energy: -36.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -550.510327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.510327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.510327 (E_RNA)
where:
Base-Base interactions energy: -341.233
where: short stacking energy: -182.798
Base-Backbone interact. energy: -1.222
local terms energy: -208.054980
where:
bonds (distance) C4'-P energy: -54.585
bonds (distance) P-C4' energy: -43.346
flat angles C4'-P-C4' energy: -52.801
flat angles P-C4'-P energy: -26.808
tors. eta vs tors. theta energy: -30.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -423.383659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.383659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.383659 (E_RNA)
where:
Base-Base interactions energy: -214.383
where: short stacking energy: -120.187
Base-Backbone interact. energy: -0.485
local terms energy: -208.515482
where:
bonds (distance) C4'-P energy: -53.368
bonds (distance) P-C4' energy: -46.747
flat angles C4'-P-C4' energy: -69.296
flat angles P-C4'-P energy: -29.683
tors. eta vs tors. theta energy: -9.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1165.751272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.751272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.751272 (E_RNA)
where:
Base-Base interactions energy: -833.444
where: short stacking energy: -337.748
Base-Backbone interact. energy: -0.143
local terms energy: -332.163541
where:
bonds (distance) C4'-P energy: -61.675
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -66.378
flat angles P-C4'-P energy: -47.035
tors. eta vs tors. theta energy: -89.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1105.318504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.318504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.318504 (E_RNA)
where:
Base-Base interactions energy: -767.925
where: short stacking energy: -312.144
Base-Backbone interact. energy: -1.044
local terms energy: -336.349376
where:
bonds (distance) C4'-P energy: -63.878
bonds (distance) P-C4' energy: -63.297
flat angles C4'-P-C4' energy: -69.447
flat angles P-C4'-P energy: -42.047
tors. eta vs tors. theta energy: -97.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1058.502138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.502138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.502138 (E_RNA)
where:
Base-Base interactions energy: -743.908
where: short stacking energy: -316.570
Base-Backbone interact. energy: -1.782
local terms energy: -312.813061
where:
bonds (distance) C4'-P energy: -59.653
bonds (distance) P-C4' energy: -55.063
flat angles C4'-P-C4' energy: -66.344
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -90.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -987.075649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.075649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.075649 (E_RNA)
where:
Base-Base interactions energy: -674.159
where: short stacking energy: -294.006
Base-Backbone interact. energy: 1.001
local terms energy: -313.917758
where:
bonds (distance) C4'-P energy: -62.949
bonds (distance) P-C4' energy: -55.685
flat angles C4'-P-C4' energy: -66.318
flat angles P-C4'-P energy: -46.695
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: 5, replica: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -936.137992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.137992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.137992 (E_RNA)
where:
Base-Base interactions energy: -639.145
where: short stacking energy: -275.849
Base-Backbone interact. energy: -1.007
local terms energy: -295.986569
where:
bonds (distance) C4'-P energy: -54.958
bonds (distance) P-C4' energy: -59.223
flat angles C4'-P-C4' energy: -61.855
flat angles P-C4'-P energy: -42.412
tors. eta vs tors. theta energy: -77.539
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: 6, replica: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -973.674681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.674681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.674681 (E_RNA)
where:
Base-Base interactions energy: -704.331
where: short stacking energy: -281.348
Base-Backbone interact. energy: -1.151
local terms energy: -268.192899
where:
bonds (distance) C4'-P energy: -43.079
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -58.682
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -68.908
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: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -827.455528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.455528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.455528 (E_RNA)
where:
Base-Base interactions energy: -557.730
where: short stacking energy: -251.067
Base-Backbone interact. energy: -0.281
local terms energy: -269.444883
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -58.545
flat angles C4'-P-C4' energy: -66.646
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -62.535
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: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -668.958944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.958944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.958944 (E_RNA)
where:
Base-Base interactions energy: -434.410
where: short stacking energy: -214.375
Base-Backbone interact. energy: -0.714
local terms energy: -233.835378
where:
bonds (distance) C4'-P energy: -55.994
bonds (distance) P-C4' energy: -48.387
flat angles C4'-P-C4' energy: -50.973
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -43.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -520.952852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.952852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.952852 (E_RNA)
where:
Base-Base interactions energy: -340.629
where: short stacking energy: -151.984
Base-Backbone interact. energy: 2.083
local terms energy: -182.406983
where:
bonds (distance) C4'-P energy: -42.886
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -43.484
flat angles P-C4'-P energy: -28.656
tors. eta vs tors. theta energy: -17.458
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: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -419.424026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.424026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.424026 (E_RNA)
where:
Base-Base interactions energy: -226.915
where: short stacking energy: -110.553
Base-Backbone interact. energy: -2.281
local terms energy: -190.228122
where:
bonds (distance) C4'-P energy: -54.141
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -48.293
flat angles P-C4'-P energy: -19.570
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1117.160405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.160405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.160405 (E_RNA)
where:
Base-Base interactions energy: -800.661
where: short stacking energy: -333.490
Base-Backbone interact. energy: -1.490
local terms energy: -315.008808
where:
bonds (distance) C4'-P energy: -53.225
bonds (distance) P-C4' energy: -58.401
flat angles C4'-P-C4' energy: -69.494
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: -98.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1147.353697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.353697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.353697 (E_RNA)
where:
Base-Base interactions energy: -812.487
where: short stacking energy: -344.812
Base-Backbone interact. energy: -0.206
local terms energy: -334.660262
where:
bonds (distance) C4'-P energy: -58.768
bonds (distance) P-C4' energy: -67.679
flat angles C4'-P-C4' energy: -69.598
flat angles P-C4'-P energy: -43.194
tors. eta vs tors. theta energy: -95.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1057.916472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.916472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.916472 (E_RNA)
where:
Base-Base interactions energy: -737.688
where: short stacking energy: -317.334
Base-Backbone interact. energy: -0.065
local terms energy: -320.163281
where:
bonds (distance) C4'-P energy: -64.860
bonds (distance) P-C4' energy: -55.962
flat angles C4'-P-C4' energy: -69.154
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -88.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -984.781755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.781755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.781755 (E_RNA)
where:
Base-Base interactions energy: -679.548
where: short stacking energy: -279.944
Base-Backbone interact. energy: -0.784
local terms energy: -304.449920
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -63.008
flat angles C4'-P-C4' energy: -69.224
flat angles P-C4'-P energy: -41.745
tors. eta vs tors. theta energy: -80.081
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: 5, replica: 2
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1013.810202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.810202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.810202 (E_RNA)
where:
Base-Base interactions energy: -721.326
where: short stacking energy: -297.675
Base-Backbone interact. energy: -0.983
local terms energy: -291.501697
where:
bonds (distance) C4'-P energy: -51.037
bonds (distance) P-C4' energy: -52.971
flat angles C4'-P-C4' energy: -67.037
flat angles P-C4'-P energy: -40.926
tors. eta vs tors. theta energy: -79.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -926.239555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.239555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.239555 (E_RNA)
where:
Base-Base interactions energy: -622.925
where: short stacking energy: -275.963
Base-Backbone interact. energy: 0.406
local terms energy: -303.721025
where:
bonds (distance) C4'-P energy: -62.022
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -59.289
flat angles P-C4'-P energy: -35.808
tors. eta vs tors. theta energy: -85.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -849.695727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.695727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.695727 (E_RNA)
where:
Base-Base interactions energy: -567.047
where: short stacking energy: -260.561
Base-Backbone interact. energy: -0.912
local terms energy: -281.736260
where:
bonds (distance) C4'-P energy: -60.014
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -56.149
flat angles P-C4'-P energy: -45.155
tors. eta vs tors. theta energy: -63.505
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: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -684.292582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.292582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.292582 (E_RNA)
where:
Base-Base interactions energy: -451.823
where: short stacking energy: -197.057
Base-Backbone interact. energy: -1.167
local terms energy: -231.302291
where:
bonds (distance) C4'-P energy: -42.043
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -66.445
flat angles P-C4'-P energy: -32.229
tors. eta vs tors. theta energy: -40.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -542.560946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.560946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.560946 (E_RNA)
where:
Base-Base interactions energy: -330.666
where: short stacking energy: -151.067
Base-Backbone interact. energy: -0.038
local terms energy: -211.857214
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -50.102
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -34.799
tors. eta vs tors. theta energy: -27.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -427.168298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.168298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.168298 (E_RNA)
where:
Base-Base interactions energy: -248.275
where: short stacking energy: -137.127
Base-Backbone interact. energy: 6.905
local terms energy: -185.798416
where:
bonds (distance) C4'-P energy: -40.147
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -39.227
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -14.261
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: 1, replica: 6
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1121.445189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.445189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.445189 (E_RNA)
where:
Base-Base interactions energy: -801.514
where: short stacking energy: -329.192
Base-Backbone interact. energy: 1.114
local terms energy: -321.044814
where:
bonds (distance) C4'-P energy: -59.387
bonds (distance) P-C4' energy: -58.651
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -42.238
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: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1145.234935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.234935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.234935 (E_RNA)
where:
Base-Base interactions energy: -823.836
where: short stacking energy: -336.047
Base-Backbone interact. energy: -0.769
local terms energy: -320.629894
where:
bonds (distance) C4'-P energy: -58.203
bonds (distance) P-C4' energy: -61.853
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -43.120
tors. eta vs tors. theta energy: -89.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1080.701264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.701264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.701264 (E_RNA)
where:
Base-Base interactions energy: -763.125
where: short stacking energy: -312.008
Base-Backbone interact. energy: -1.523
local terms energy: -316.052942
where:
bonds (distance) C4'-P energy: -57.742
bonds (distance) P-C4' energy: -58.601
flat angles C4'-P-C4' energy: -64.181
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -87.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1023.963279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.963279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.963279 (E_RNA)
where:
Base-Base interactions energy: -732.099
where: short stacking energy: -289.588
Base-Backbone interact. energy: -1.020
local terms energy: -290.844692
where:
bonds (distance) C4'-P energy: -44.608
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -42.775
tors. eta vs tors. theta energy: -81.139
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: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -986.653493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.653493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.653493 (E_RNA)
where:
Base-Base interactions energy: -681.437
where: short stacking energy: -299.440
Base-Backbone interact. energy: -1.152
local terms energy: -304.064903
where:
bonds (distance) C4'-P energy: -55.093
bonds (distance) P-C4' energy: -63.112
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -79.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -898.109415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.109415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.109415 (E_RNA)
where:
Base-Base interactions energy: -608.358
where: short stacking energy: -254.531
Base-Backbone interact. energy: -0.983
local terms energy: -288.767587
where:
bonds (distance) C4'-P energy: -59.236
bonds (distance) P-C4' energy: -60.421
flat angles C4'-P-C4' energy: -61.633
flat angles P-C4'-P energy: -32.076
tors. eta vs tors. theta energy: -75.402
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: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -849.254083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.254083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.254083 (E_RNA)
where:
Base-Base interactions energy: -585.297
where: short stacking energy: -260.507
Base-Backbone interact. energy: -0.571
local terms energy: -263.385605
where:
bonds (distance) C4'-P energy: -42.520
bonds (distance) P-C4' energy: -65.045
flat angles C4'-P-C4' energy: -58.828
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -63.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -681.741326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.741326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.741326 (E_RNA)
where:
Base-Base interactions energy: -434.547
where: short stacking energy: -225.247
Base-Backbone interact. energy: -0.683
local terms energy: -246.511771
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -41.228
flat angles C4'-P-C4' energy: -54.881
flat angles P-C4'-P energy: -39.717
tors. eta vs tors. theta energy: -56.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -564.706295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.706295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.706295 (E_RNA)
where:
Base-Base interactions energy: -350.351
where: short stacking energy: -166.264
Base-Backbone interact. energy: -1.480
local terms energy: -212.875277
where:
bonds (distance) C4'-P energy: -48.177
bonds (distance) P-C4' energy: -54.337
flat angles C4'-P-C4' energy: -53.078
flat angles P-C4'-P energy: -36.990
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -453.719697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.719697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.719697 (E_RNA)
where:
Base-Base interactions energy: -248.305
where: short stacking energy: -138.725
Base-Backbone interact. energy: -0.231
local terms energy: -205.183404
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -52.795
flat angles P-C4'-P energy: -37.885
tors. eta vs tors. theta energy: -14.261
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: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1158.927210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.927210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.927210 (E_RNA)
where:
Base-Base interactions energy: -854.052
where: short stacking energy: -355.110
Base-Backbone interact. energy: 0.250
local terms energy: -305.125318
where:
bonds (distance) C4'-P energy: -54.202
bonds (distance) P-C4' energy: -52.737
flat angles C4'-P-C4' energy: -66.071
flat angles P-C4'-P energy: -43.095
tors. eta vs tors. theta energy: -89.021
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: 6
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1091.118648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.118648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.118648 (E_RNA)
where:
Base-Base interactions energy: -775.469
where: short stacking energy: -315.619
Base-Backbone interact. energy: -0.898
local terms energy: -314.751773
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -50.209
flat angles P-C4'-P energy: -45.674
tors. eta vs tors. theta energy: -89.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1081.222767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.222767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.222767 (E_RNA)
where:
Base-Base interactions energy: -773.931
where: short stacking energy: -311.513
Base-Backbone interact. energy: -1.350
local terms energy: -305.941658
where:
bonds (distance) C4'-P energy: -58.645
bonds (distance) P-C4' energy: -56.254
flat angles C4'-P-C4' energy: -61.701
flat angles P-C4'-P energy: -45.656
tors. eta vs tors. theta energy: -83.687
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: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1002.038026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.038026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.038026 (E_RNA)
where:
Base-Base interactions energy: -711.161
where: short stacking energy: -281.089
Base-Backbone interact. energy: -1.665
local terms energy: -289.211816
where:
bonds (distance) C4'-P energy: -57.823
bonds (distance) P-C4' energy: -60.902
flat angles C4'-P-C4' energy: -63.983
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -68.127
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: 10
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -961.051242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.051242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.051242 (E_RNA)
where:
Base-Base interactions energy: -666.418
where: short stacking energy: -292.434
Base-Backbone interact. energy: 0.371
local terms energy: -295.003626
where:
bonds (distance) C4'-P energy: -54.073
bonds (distance) P-C4' energy: -59.502
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -44.267
tors. eta vs tors. theta energy: -79.015
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: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -908.134417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.134417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.134417 (E_RNA)
where:
Base-Base interactions energy: -620.270
where: short stacking energy: -266.553
Base-Backbone interact. energy: -0.746
local terms energy: -287.118407
where:
bonds (distance) C4'-P energy: -51.933
bonds (distance) P-C4' energy: -60.270
flat angles C4'-P-C4' energy: -63.606
flat angles P-C4'-P energy: -36.190
tors. eta vs tors. theta energy: -75.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -839.849228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.849228 (E_RNA)
where:
Base-Base interactions energy: -578.117
where: short stacking energy: -243.806
Base-Backbone interact. energy: -0.421
local terms energy: -261.311240
where:
bonds (distance) C4'-P energy: -51.722
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -54.933
flat angles P-C4'-P energy: -37.962
tors. eta vs tors. theta energy: -62.357
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: 8
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -656.063106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.063106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.063106 (E_RNA)
where:
Base-Base interactions energy: -437.800
where: short stacking energy: -199.825
Base-Backbone interact. energy: -0.358
local terms energy: -217.904637
where:
bonds (distance) C4'-P energy: -52.405
bonds (distance) P-C4' energy: -61.996
flat angles C4'-P-C4' energy: -40.007
flat angles P-C4'-P energy: -27.913
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: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -587.727555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.727555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.727555 (E_RNA)
where:
Base-Base interactions energy: -370.735
where: short stacking energy: -169.596
Base-Backbone interact. energy: 0.633
local terms energy: -217.625367
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -47.319
flat angles P-C4'-P energy: -20.153
tors. eta vs tors. theta energy: -35.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -446.026018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.026018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.026018 (E_RNA)
where:
Base-Base interactions energy: -263.182
where: short stacking energy: -131.451
Base-Backbone interact. energy: 1.180
local terms energy: -184.024521
where:
bonds (distance) C4'-P energy: -50.132
bonds (distance) P-C4' energy: -48.002
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -27.543
tors. eta vs tors. theta energy: -11.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1159.744954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.744954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.744954 (E_RNA)
where:
Base-Base interactions energy: -827.103
where: short stacking energy: -334.350
Base-Backbone interact. energy: -2.606
local terms energy: -330.036419
where:
bonds (distance) C4'-P energy: -66.186
bonds (distance) P-C4' energy: -62.293
flat angles C4'-P-C4' energy: -67.249
flat angles P-C4'-P energy: -43.341
tors. eta vs tors. theta energy: -90.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1105.314402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.314402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.314402 (E_RNA)
where:
Base-Base interactions energy: -786.014
where: short stacking energy: -335.291
Base-Backbone interact. energy: -0.892
local terms energy: -318.407659
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -61.646
flat angles C4'-P-C4' energy: -68.501
flat angles P-C4'-P energy: -33.376
tors. eta vs tors. theta energy: -99.627
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: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1088.100103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.100103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.100103 (E_RNA)
where:
Base-Base interactions energy: -761.656
where: short stacking energy: -307.609
Base-Backbone interact. energy: -4.270
local terms energy: -322.173392
where:
bonds (distance) C4'-P energy: -61.834
bonds (distance) P-C4' energy: -59.149
flat angles C4'-P-C4' energy: -69.532
flat angles P-C4'-P energy: -48.328
tors. eta vs tors. theta energy: -83.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1007.273138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.273138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.273138 (E_RNA)
where:
Base-Base interactions energy: -728.360
where: short stacking energy: -288.253
Base-Backbone interact. energy: 1.721
local terms energy: -280.634320
where:
bonds (distance) C4'-P energy: -51.063
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -35.697
tors. eta vs tors. theta energy: -77.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1005.591865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.591865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.591865 (E_RNA)
where:
Base-Base interactions energy: -697.604
where: short stacking energy: -307.597
Base-Backbone interact. energy: 1.231
local terms energy: -309.218628
where:
bonds (distance) C4'-P energy: -63.276
bonds (distance) P-C4' energy: -60.876
flat angles C4'-P-C4' energy: -55.297
flat angles P-C4'-P energy: -44.553
tors. eta vs tors. theta energy: -85.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -954.494353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.494353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.494353 (E_RNA)
where:
Base-Base interactions energy: -650.264
where: short stacking energy: -295.377
Base-Backbone interact. energy: -0.900
local terms energy: -303.329852
where:
bonds (distance) C4'-P energy: -55.860
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -45.754
tors. eta vs tors. theta energy: -82.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -834.193545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.193545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.193545 (E_RNA)
where:
Base-Base interactions energy: -576.934
where: short stacking energy: -249.314
Base-Backbone interact. energy: -0.643
local terms energy: -256.616284
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -52.891
flat angles C4'-P-C4' energy: -53.698
flat angles P-C4'-P energy: -42.165
tors. eta vs tors. theta energy: -58.574
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: 8
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -633.896607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.896607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.896607 (E_RNA)
where:
Base-Base interactions energy: -409.747
where: short stacking energy: -183.081
Base-Backbone interact. energy: -1.038
local terms energy: -223.112248
where:
bonds (distance) C4'-P energy: -50.832
bonds (distance) P-C4' energy: -47.245
flat angles C4'-P-C4' energy: -55.051
flat angles P-C4'-P energy: -28.239
tors. eta vs tors. theta energy: -41.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -571.970339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.970339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.970339 (E_RNA)
where:
Base-Base interactions energy: -375.334
where: short stacking energy: -164.983
Base-Backbone interact. energy: -1.197
local terms energy: -195.439756
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -41.778
flat angles C4'-P-C4' energy: -42.459
flat angles P-C4'-P energy: -29.112
tors. eta vs tors. theta energy: -35.144
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: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -416.409199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.409199 (E_RNA)
where:
Base-Base interactions energy: -218.385
where: short stacking energy: -113.872
Base-Backbone interact. energy: 0.694
local terms energy: -198.717532
where:
bonds (distance) C4'-P energy: -57.776
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -54.573
flat angles P-C4'-P energy: -24.044
tors. eta vs tors. theta energy: -5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1160.866580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.866580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.866580 (E_RNA)
where:
Base-Base interactions energy: -821.356
where: short stacking energy: -345.666
Base-Backbone interact. energy: 0.129
local terms energy: -339.639215
where:
bonds (distance) C4'-P energy: -62.211
bonds (distance) P-C4' energy: -66.176
flat angles C4'-P-C4' energy: -66.620
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -94.476
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: 6
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1100.393223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.393223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.393223 (E_RNA)
where:
Base-Base interactions energy: -762.341
where: short stacking energy: -322.522
Base-Backbone interact. energy: -0.932
local terms energy: -337.120274
where:
bonds (distance) C4'-P energy: -63.997
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -66.843
flat angles P-C4'-P energy: -50.289
tors. eta vs tors. theta energy: -97.381
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: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1063.281129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.281129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.281129 (E_RNA)
where:
Base-Base interactions energy: -769.820
where: short stacking energy: -320.540
Base-Backbone interact. energy: -0.577
local terms energy: -292.884403
where:
bonds (distance) C4'-P energy: -49.673
bonds (distance) P-C4' energy: -58.481
flat angles C4'-P-C4' energy: -61.050
flat angles P-C4'-P energy: -40.004
tors. eta vs tors. theta energy: -83.677
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: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1000.418360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.418360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.418360 (E_RNA)
where:
Base-Base interactions energy: -712.010
where: short stacking energy: -303.012
Base-Backbone interact. energy: -1.044
local terms energy: -287.364419
where:
bonds (distance) C4'-P energy: -55.758
bonds (distance) P-C4' energy: -52.026
flat angles C4'-P-C4' energy: -61.021
flat angles P-C4'-P energy: -40.852
tors. eta vs tors. theta energy: -77.708
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -961.743213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.743213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.743213 (E_RNA)
where:
Base-Base interactions energy: -666.737
where: short stacking energy: -276.557
Base-Backbone interact. energy: 1.022
local terms energy: -296.028077
where:
bonds (distance) C4'-P energy: -65.503
bonds (distance) P-C4' energy: -53.303
flat angles C4'-P-C4' energy: -62.581
flat angles P-C4'-P energy: -39.499
tors. eta vs tors. theta energy: -75.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -922.098046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.098046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.098046 (E_RNA)
where:
Base-Base interactions energy: -650.444
where: short stacking energy: -295.647
Base-Backbone interact. energy: 0.121
local terms energy: -271.775628
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -58.580
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -31.778
tors. eta vs tors. theta energy: -79.355
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: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -841.849655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.849655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.849655 (E_RNA)
where:
Base-Base interactions energy: -557.829
where: short stacking energy: -241.286
Base-Backbone interact. energy: -1.272
local terms energy: -282.748172
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -63.910
flat angles C4'-P-C4' energy: -59.861
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -64.358
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: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -696.125196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.125196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.125196 (E_RNA)
where:
Base-Base interactions energy: -468.599
where: short stacking energy: -213.533
Base-Backbone interact. energy: -1.347
local terms energy: -226.179912
where:
bonds (distance) C4'-P energy: -50.379
bonds (distance) P-C4' energy: -54.853
flat angles C4'-P-C4' energy: -59.654
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -43.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -605.515177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.515177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.515177 (E_RNA)
where:
Base-Base interactions energy: -369.633
where: short stacking energy: -166.246
Base-Backbone interact. energy: 0.922
local terms energy: -236.804670
where:
bonds (distance) C4'-P energy: -42.995
bonds (distance) P-C4' energy: -60.076
flat angles C4'-P-C4' energy: -53.631
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -34.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -458.199052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.199052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.199052 (E_RNA)
where:
Base-Base interactions energy: -257.592
where: short stacking energy: -150.748
Base-Backbone interact. energy: 0.801
local terms energy: -201.407517
where:
bonds (distance) C4'-P energy: -42.589
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -53.438
flat angles P-C4'-P energy: -37.656
tors. eta vs tors. theta energy: -17.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1164.022541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.022541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.022541 (E_RNA)
where:
Base-Base interactions energy: -842.192
where: short stacking energy: -354.443
Base-Backbone interact. energy: -0.822
local terms energy: -321.009105
where:
bonds (distance) C4'-P energy: -57.550
bonds (distance) P-C4' energy: -54.495
flat angles C4'-P-C4' energy: -69.617
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -95.510
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: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1101.392763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.392763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.392763 (E_RNA)
where:
Base-Base interactions energy: -778.518
where: short stacking energy: -336.204
Base-Backbone interact. energy: -0.157
local terms energy: -322.717709
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -68.089
flat angles C4'-P-C4' energy: -55.966
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -95.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1037.847473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.847473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.847473 (E_RNA)
where:
Base-Base interactions energy: -723.248
where: short stacking energy: -299.896
Base-Backbone interact. energy: -1.350
local terms energy: -313.249722
where:
bonds (distance) C4'-P energy: -59.033
bonds (distance) P-C4' energy: -56.368
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -52.013
tors. eta vs tors. theta energy: -84.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -991.131214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.131214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.131214 (E_RNA)
where:
Base-Base interactions energy: -685.976
where: short stacking energy: -305.024
Base-Backbone interact. energy: 0.528
local terms energy: -305.683434
where:
bonds (distance) C4'-P energy: -58.682
bonds (distance) P-C4' energy: -58.436
flat angles C4'-P-C4' energy: -66.127
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -985.243404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.243404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.243404 (E_RNA)
where:
Base-Base interactions energy: -676.968
where: short stacking energy: -287.376
Base-Backbone interact. energy: -0.479
local terms energy: -307.797094
where:
bonds (distance) C4'-P energy: -59.882
bonds (distance) P-C4' energy: -57.488
flat angles C4'-P-C4' energy: -72.485
flat angles P-C4'-P energy: -41.947
tors. eta vs tors. theta energy: -75.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -922.361813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.361813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.361813 (E_RNA)
where:
Base-Base interactions energy: -637.115
where: short stacking energy: -280.011
Base-Backbone interact. energy: -0.251
local terms energy: -284.995870
where:
bonds (distance) C4'-P energy: -46.074
bonds (distance) P-C4' energy: -55.133
flat angles C4'-P-C4' energy: -69.049
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -73.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -830.876789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.876789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.876789 (E_RNA)
where:
Base-Base interactions energy: -587.781
where: short stacking energy: -255.715
Base-Backbone interact. energy: -0.974
local terms energy: -242.121239
where:
bonds (distance) C4'-P energy: -48.199
bonds (distance) P-C4' energy: -47.324
flat angles C4'-P-C4' energy: -46.531
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -63.319
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: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -728.039015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.039015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.039015 (E_RNA)
where:
Base-Base interactions energy: -482.980
where: short stacking energy: -217.743
Base-Backbone interact. energy: 0.496
local terms energy: -245.555426
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -55.593
flat angles C4'-P-C4' energy: -46.897
flat angles P-C4'-P energy: -37.298
tors. eta vs tors. theta energy: -53.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -577.706080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.706080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.706080 (E_RNA)
where:
Base-Base interactions energy: -359.904
where: short stacking energy: -181.059
Base-Backbone interact. energy: -1.432
local terms energy: -216.369960
where:
bonds (distance) C4'-P energy: -53.207
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -31.774
flat angles P-C4'-P energy: -32.195
tors. eta vs tors. theta energy: -41.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -425.541188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.541188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.541188 (E_RNA)
where:
Base-Base interactions energy: -269.160
where: short stacking energy: -152.856
Base-Backbone interact. energy: -1.507
local terms energy: -154.874067
where:
bonds (distance) C4'-P energy: -41.475
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -40.101
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -17.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1160.021487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.021487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.021487 (E_RNA)
where:
Base-Base interactions energy: -845.903
where: short stacking energy: -353.867
Base-Backbone interact. energy: -0.746
local terms energy: -313.372450
where:
bonds (distance) C4'-P energy: -54.088
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -66.863
flat angles P-C4'-P energy: -34.305
tors. eta vs tors. theta energy: -90.671
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: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1092.604386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.604386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.604386 (E_RNA)
where:
Base-Base interactions energy: -770.810
where: short stacking energy: -327.218
Base-Backbone interact. energy: -0.982
local terms energy: -320.812450
where:
bonds (distance) C4'-P energy: -57.264
bonds (distance) P-C4' energy: -59.733
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -39.975
tors. eta vs tors. theta energy: -100.080
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: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1063.394659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.394659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.394659 (E_RNA)
where:
Base-Base interactions energy: -756.204
where: short stacking energy: -316.204
Base-Backbone interact. energy: -1.269
local terms energy: -305.921179
where:
bonds (distance) C4'-P energy: -51.850
bonds (distance) P-C4' energy: -56.379
flat angles C4'-P-C4' energy: -67.045
flat angles P-C4'-P energy: -45.865
tors. eta vs tors. theta energy: -84.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1044.995153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.995153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.995153 (E_RNA)
where:
Base-Base interactions energy: -741.075
where: short stacking energy: -291.372
Base-Backbone interact. energy: -3.091
local terms energy: -300.829454
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -63.920
flat angles C4'-P-C4' energy: -64.894
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -83.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -990.153444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.153444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.153444 (E_RNA)
where:
Base-Base interactions energy: -708.166
where: short stacking energy: -291.855
Base-Backbone interact. energy: -1.572
local terms energy: -280.415024
where:
bonds (distance) C4'-P energy: -47.905
bonds (distance) P-C4' energy: -56.623
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -80.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -919.396941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.396941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.396941 (E_RNA)
where:
Base-Base interactions energy: -618.449
where: short stacking energy: -268.594
Base-Backbone interact. energy: -0.264
local terms energy: -300.684178
where:
bonds (distance) C4'-P energy: -61.012
bonds (distance) P-C4' energy: -61.059
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -32.804
tors. eta vs tors. theta energy: -76.292
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: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -816.964309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.964309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.964309 (E_RNA)
where:
Base-Base interactions energy: -552.976
where: short stacking energy: -239.542
Base-Backbone interact. energy: 0.764
local terms energy: -264.752468
where:
bonds (distance) C4'-P energy: -58.631
bonds (distance) P-C4' energy: -40.935
flat angles C4'-P-C4' energy: -58.635
flat angles P-C4'-P energy: -45.300
tors. eta vs tors. theta energy: -61.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -717.477041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.477041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.477041 (E_RNA)
where:
Base-Base interactions energy: -492.794
where: short stacking energy: -216.390
Base-Backbone interact. energy: -0.599
local terms energy: -224.083896
where:
bonds (distance) C4'-P energy: -42.776
bonds (distance) P-C4' energy: -46.986
flat angles C4'-P-C4' energy: -48.993
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -44.028
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: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -553.880289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.880289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.880289 (E_RNA)
where:
Base-Base interactions energy: -341.125
where: short stacking energy: -179.047
Base-Backbone interact. energy: -0.689
local terms energy: -212.066513
where:
bonds (distance) C4'-P energy: -53.256
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -43.039
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -30.040
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: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -448.241864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.241864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.241864 (E_RNA)
where:
Base-Base interactions energy: -245.385
where: short stacking energy: -140.351
Base-Backbone interact. energy: -0.657
local terms energy: -202.199147
where:
bonds (distance) C4'-P energy: -41.872
bonds (distance) P-C4' energy: -58.098
flat angles C4'-P-C4' energy: -57.126
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -20.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1159.703130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.703130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.703130 (E_RNA)
where:
Base-Base interactions energy: -833.631
where: short stacking energy: -340.780
Base-Backbone interact. energy: -0.787
local terms energy: -325.284594
where:
bonds (distance) C4'-P energy: -63.438
bonds (distance) P-C4' energy: -62.374
flat angles C4'-P-C4' energy: -66.936
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -89.290
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1111.904374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.904374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.904374 (E_RNA)
where:
Base-Base interactions energy: -787.812
where: short stacking energy: -325.474
Base-Backbone interact. energy: -1.149
local terms energy: -322.943334
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -65.098
flat angles C4'-P-C4' energy: -70.178
flat angles P-C4'-P energy: -37.006
tors. eta vs tors. theta energy: -97.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1067.436921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.436921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.436921 (E_RNA)
where:
Base-Base interactions energy: -767.603
where: short stacking energy: -314.740
Base-Backbone interact. energy: 0.078
local terms energy: -299.911936
where:
bonds (distance) C4'-P energy: -64.689
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -60.735
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -86.568
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1040.804861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.804861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.804861 (E_RNA)
where:
Base-Base interactions energy: -731.106
where: short stacking energy: -318.128
Base-Backbone interact. energy: -1.679
local terms energy: -308.020066
where:
bonds (distance) C4'-P energy: -59.848
bonds (distance) P-C4' energy: -60.660
flat angles C4'-P-C4' energy: -66.859
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -80.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -998.645454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.645454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.645454 (E_RNA)
where:
Base-Base interactions energy: -702.148
where: short stacking energy: -308.398
Base-Backbone interact. energy: -1.024
local terms energy: -295.472856
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -56.900
flat angles C4'-P-C4' energy: -56.147
flat angles P-C4'-P energy: -46.387
tors. eta vs tors. theta energy: -79.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -902.871191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.871191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.871191 (E_RNA)
where:
Base-Base interactions energy: -619.043
where: short stacking energy: -264.564
Base-Backbone interact. energy: -0.573
local terms energy: -283.254984
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -51.925
flat angles C4'-P-C4' energy: -62.784
flat angles P-C4'-P energy: -44.536
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -858.860517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.860517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.860517 (E_RNA)
where:
Base-Base interactions energy: -596.576
where: short stacking energy: -248.098
Base-Backbone interact. energy: -0.935
local terms energy: -261.348870
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -57.778
flat angles C4'-P-C4' energy: -56.691
flat angles P-C4'-P energy: -34.771
tors. eta vs tors. theta energy: -61.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -717.492872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.492872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.492872 (E_RNA)
where:
Base-Base interactions energy: -482.331
where: short stacking energy: -194.709
Base-Backbone interact. energy: -1.224
local terms energy: -233.937307
where:
bonds (distance) C4'-P energy: -39.128
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -58.087
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -38.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -542.137662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.137662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.137662 (E_RNA)
where:
Base-Base interactions energy: -339.448
where: short stacking energy: -175.522
Base-Backbone interact. energy: -1.420
local terms energy: -201.269481
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -48.416
flat angles P-C4'-P energy: -21.606
tors. eta vs tors. theta energy: -30.213
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: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -443.353083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.353083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.353083 (E_RNA)
where:
Base-Base interactions energy: -259.954
where: short stacking energy: -137.150
Base-Backbone interact. energy: -0.134
local terms energy: -183.265315
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -55.356
flat angles C4'-P-C4' energy: -26.169
flat angles P-C4'-P energy: -26.902
tors. eta vs tors. theta energy: -21.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1150.105836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.105836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.105836 (E_RNA)
where:
Base-Base interactions energy: -824.320
where: short stacking energy: -337.585
Base-Backbone interact. energy: -0.707
local terms energy: -325.078283
where:
bonds (distance) C4'-P energy: -60.217
bonds (distance) P-C4' energy: -65.268
flat angles C4'-P-C4' energy: -71.144
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -93.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1087.757296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.757296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.757296 (E_RNA)
where:
Base-Base interactions energy: -764.019
where: short stacking energy: -322.305
Base-Backbone interact. energy: -0.554
local terms energy: -323.183483
where:
bonds (distance) C4'-P energy: -53.548
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -69.111
flat angles P-C4'-P energy: -41.985
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: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1075.043176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.043176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.043176 (E_RNA)
where:
Base-Base interactions energy: -757.784
where: short stacking energy: -329.538
Base-Backbone interact. energy: -0.783
local terms energy: -316.475898
where:
bonds (distance) C4'-P energy: -55.385
bonds (distance) P-C4' energy: -62.069
flat angles C4'-P-C4' energy: -66.363
flat angles P-C4'-P energy: -45.166
tors. eta vs tors. theta energy: -87.493
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: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1037.522351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.522351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.522351 (E_RNA)
where:
Base-Base interactions energy: -730.572
where: short stacking energy: -312.015
Base-Backbone interact. energy: -0.310
local terms energy: -306.640911
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -56.257
flat angles C4'-P-C4' energy: -69.285
flat angles P-C4'-P energy: -38.178
tors. eta vs tors. theta energy: -89.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1011.967061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.967061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.967061 (E_RNA)
where:
Base-Base interactions energy: -711.833
where: short stacking energy: -304.309
Base-Backbone interact. energy: 1.796
local terms energy: -301.930124
where:
bonds (distance) C4'-P energy: -50.917
bonds (distance) P-C4' energy: -55.079
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -42.025
tors. eta vs tors. theta energy: -88.675
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: 368
Temperature: 1.150000
Total energy: -952.599130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.599130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.599130 (E_RNA)
where:
Base-Base interactions energy: -655.459
where: short stacking energy: -305.165
Base-Backbone interact. energy: -1.102
local terms energy: -296.037946
where:
bonds (distance) C4'-P energy: -50.591
bonds (distance) P-C4' energy: -54.560
flat angles C4'-P-C4' energy: -69.404
flat angles P-C4'-P energy: -33.732
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: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -892.731564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.731564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.731564 (E_RNA)
where:
Base-Base interactions energy: -632.221
where: short stacking energy: -265.425
Base-Backbone interact. energy: -1.977
local terms energy: -258.533284
where:
bonds (distance) C4'-P energy: -55.731
bonds (distance) P-C4' energy: -54.710
flat angles C4'-P-C4' energy: -59.022
flat angles P-C4'-P energy: -25.130
tors. eta vs tors. theta energy: -63.941
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: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -729.189603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.189603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.189603 (E_RNA)
where:
Base-Base interactions energy: -504.203
where: short stacking energy: -216.390
Base-Backbone interact. energy: -0.754
local terms energy: -224.232200
where:
bonds (distance) C4'-P energy: -33.685
bonds (distance) P-C4' energy: -55.233
flat angles C4'-P-C4' energy: -57.477
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -56.303
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: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -528.189719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.189719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.189719 (E_RNA)
where:
Base-Base interactions energy: -305.304
where: short stacking energy: -162.358
Base-Backbone interact. energy: 1.091
local terms energy: -223.976686
where:
bonds (distance) C4'-P energy: -50.618
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -54.264
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -27.899
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: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -377.887846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.887846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.887846 (E_RNA)
where:
Base-Base interactions energy: -207.778
where: short stacking energy: -113.731
Base-Backbone interact. energy: -0.195
local terms energy: -169.914355
where:
bonds (distance) C4'-P energy: -56.399
bonds (distance) P-C4' energy: -50.753
flat angles C4'-P-C4' energy: -43.213
flat angles P-C4'-P energy: -21.685
tors. eta vs tors. theta energy: 2.135
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: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1137.343954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.343954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.343954 (E_RNA)
where:
Base-Base interactions energy: -816.520
where: short stacking energy: -328.221
Base-Backbone interact. energy: -1.836
local terms energy: -318.987868
where:
bonds (distance) C4'-P energy: -58.164
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -72.508
flat angles P-C4'-P energy: -39.381
tors. eta vs tors. theta energy: -91.871
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: 2, replica: 6
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1107.422685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.422685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.422685 (E_RNA)
where:
Base-Base interactions energy: -795.964
where: short stacking energy: -320.263
Base-Backbone interact. energy: -1.708
local terms energy: -309.751104
where:
bonds (distance) C4'-P energy: -57.835
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -57.076
flat angles P-C4'-P energy: -42.043
tors. eta vs tors. theta energy: -88.633
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: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1056.691942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.691942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.691942 (E_RNA)
where:
Base-Base interactions energy: -754.846
where: short stacking energy: -328.946
Base-Backbone interact. energy: -0.305
local terms energy: -301.540002
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -58.117
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -40.305
tors. eta vs tors. theta energy: -86.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1015.007960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.007960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.007960 (E_RNA)
where:
Base-Base interactions energy: -690.909
where: short stacking energy: -294.134
Base-Backbone interact. energy: -2.462
local terms energy: -321.636757
where:
bonds (distance) C4'-P energy: -64.365
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -72.386
flat angles P-C4'-P energy: -51.001
tors. eta vs tors. theta energy: -87.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -996.021410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.021410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.021410 (E_RNA)
where:
Base-Base interactions energy: -693.153
where: short stacking energy: -291.297
Base-Backbone interact. energy: -0.897
local terms energy: -301.971219
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -67.228
flat angles C4'-P-C4' energy: -67.331
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -82.757
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: 6, replica: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -925.913686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.913686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.913686 (E_RNA)
where:
Base-Base interactions energy: -647.249
where: short stacking energy: -271.486
Base-Backbone interact. energy: -1.523
local terms energy: -277.142270
where:
bonds (distance) C4'-P energy: -51.952
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -69.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -861.973374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.973374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.973374 (E_RNA)
where:
Base-Base interactions energy: -589.505
where: short stacking energy: -253.452
Base-Backbone interact. energy: -0.398
local terms energy: -272.069648
where:
bonds (distance) C4'-P energy: -47.070
bonds (distance) P-C4' energy: -47.973
flat angles C4'-P-C4' energy: -63.570
flat angles P-C4'-P energy: -40.633
tors. eta vs tors. theta energy: -72.824
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: 8
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -669.764786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.764786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.764786 (E_RNA)
where:
Base-Base interactions energy: -444.838
where: short stacking energy: -192.298
Base-Backbone interact. energy: -1.102
local terms energy: -223.825527
where:
bonds (distance) C4'-P energy: -47.811
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -48.850
flat angles P-C4'-P energy: -28.193
tors. eta vs tors. theta energy: -39.439
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: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -528.744248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.744248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.744248 (E_RNA)
where:
Base-Base interactions energy: -314.061
where: short stacking energy: -160.685
Base-Backbone interact. energy: -0.025
local terms energy: -214.658005
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -51.828
flat angles C4'-P-C4' energy: -43.963
flat angles P-C4'-P energy: -34.472
tors. eta vs tors. theta energy: -31.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -395.039447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.039447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.039447 (E_RNA)
where:
Base-Base interactions energy: -223.172
where: short stacking energy: -119.490
Base-Backbone interact. energy: -0.347
local terms energy: -171.519649
where:
bonds (distance) C4'-P energy: -40.414
bonds (distance) P-C4' energy: -45.823
flat angles C4'-P-C4' energy: -40.161
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -18.429
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: 3
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1142.697554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.697554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.697554 (E_RNA)
where:
Base-Base interactions energy: -818.190
where: short stacking energy: -336.401
Base-Backbone interact. energy: -1.350
local terms energy: -323.157495
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -59.486
flat angles C4'-P-C4' energy: -71.690
flat angles P-C4'-P energy: -45.059
tors. eta vs tors. theta energy: -93.534
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: 6
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1121.851244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.851244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.851244 (E_RNA)
where:
Base-Base interactions energy: -790.034
where: short stacking energy: -325.278
Base-Backbone interact. energy: -1.111
local terms energy: -330.705834
where:
bonds (distance) C4'-P energy: -65.125
bonds (distance) P-C4' energy: -61.515
flat angles C4'-P-C4' energy: -64.979
flat angles P-C4'-P energy: -41.095
tors. eta vs tors. theta energy: -97.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1087.371154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.371154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.371154 (E_RNA)
where:
Base-Base interactions energy: -766.204
where: short stacking energy: -326.517
Base-Backbone interact. energy: 0.783
local terms energy: -321.950889
where:
bonds (distance) C4'-P energy: -59.015
bonds (distance) P-C4' energy: -51.237
flat angles C4'-P-C4' energy: -69.213
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -99.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1008.152597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.152597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.152597 (E_RNA)
where:
Base-Base interactions energy: -701.259
where: short stacking energy: -305.571
Base-Backbone interact. energy: -0.148
local terms energy: -306.745518
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -57.006
flat angles C4'-P-C4' energy: -64.377
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -82.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -926.822969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.822969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.822969 (E_RNA)
where:
Base-Base interactions energy: -631.952
where: short stacking energy: -280.460
Base-Backbone interact. energy: 0.661
local terms energy: -295.532633
where:
bonds (distance) C4'-P energy: -57.363
bonds (distance) P-C4' energy: -53.974
flat angles C4'-P-C4' energy: -67.647
flat angles P-C4'-P energy: -41.534
tors. eta vs tors. theta energy: -75.016
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: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -971.802274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.802274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.802274 (E_RNA)
where:
Base-Base interactions energy: -693.506
where: short stacking energy: -304.473
Base-Backbone interact. energy: -0.740
local terms energy: -277.556370
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -53.873
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -86.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -858.075878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.075878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.075878 (E_RNA)
where:
Base-Base interactions energy: -584.910
where: short stacking energy: -266.203
Base-Backbone interact. energy: -0.095
local terms energy: -273.070690
where:
bonds (distance) C4'-P energy: -50.711
bonds (distance) P-C4' energy: -58.806
flat angles C4'-P-C4' energy: -60.049
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -73.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -692.829398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.829398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.829398 (E_RNA)
where:
Base-Base interactions energy: -447.313
where: short stacking energy: -225.509
Base-Backbone interact. energy: -1.013
local terms energy: -244.503833
where:
bonds (distance) C4'-P energy: -48.133
bonds (distance) P-C4' energy: -48.421
flat angles C4'-P-C4' energy: -53.911
flat angles P-C4'-P energy: -44.997
tors. eta vs tors. theta energy: -49.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -549.021339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.021339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.021339 (E_RNA)
where:
Base-Base interactions energy: -346.089
where: short stacking energy: -160.676
Base-Backbone interact. energy: -1.904
local terms energy: -201.028170
where:
bonds (distance) C4'-P energy: -48.668
bonds (distance) P-C4' energy: -43.239
flat angles C4'-P-C4' energy: -54.753
flat angles P-C4'-P energy: -24.289
tors. eta vs tors. theta energy: -30.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -383.598770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.598770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.598770 (E_RNA)
where:
Base-Base interactions energy: -212.496
where: short stacking energy: -98.954
Base-Backbone interact. energy: -1.951
local terms energy: -169.151835
where:
bonds (distance) C4'-P energy: -45.726
bonds (distance) P-C4' energy: -62.738
flat angles C4'-P-C4' energy: -38.614
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -0.632
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: 3
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1141.304657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.304657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.304657 (E_RNA)
where:
Base-Base interactions energy: -819.269
where: short stacking energy: -327.589
Base-Backbone interact. energy: -2.064
local terms energy: -319.971166
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -62.008
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -88.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1132.326629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.326629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.326629 (E_RNA)
where:
Base-Base interactions energy: -799.494
where: short stacking energy: -332.578
Base-Backbone interact. energy: 1.363
local terms energy: -334.195253
where:
bonds (distance) C4'-P energy: -62.396
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -96.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1087.350706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.350706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.350706 (E_RNA)
where:
Base-Base interactions energy: -772.306
where: short stacking energy: -330.683
Base-Backbone interact. energy: -3.340
local terms energy: -311.704753
where:
bonds (distance) C4'-P energy: -53.888
bonds (distance) P-C4' energy: -52.176
flat angles C4'-P-C4' energy: -69.816
flat angles P-C4'-P energy: -45.580
tors. eta vs tors. theta energy: -90.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1048.787410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.787410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.787410 (E_RNA)
where:
Base-Base interactions energy: -724.018
where: short stacking energy: -313.309
Base-Backbone interact. energy: -1.220
local terms energy: -323.549516
where:
bonds (distance) C4'-P energy: -60.822
bonds (distance) P-C4' energy: -62.251
flat angles C4'-P-C4' energy: -70.391
flat angles P-C4'-P energy: -41.988
tors. eta vs tors. theta energy: -88.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -922.126542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.126542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.126542 (E_RNA)
where:
Base-Base interactions energy: -624.220
where: short stacking energy: -275.347
Base-Backbone interact. energy: -0.663
local terms energy: -297.243652
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -66.839
flat angles P-C4'-P energy: -45.628
tors. eta vs tors. theta energy: -74.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -950.977996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.977996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.977996 (E_RNA)
where:
Base-Base interactions energy: -673.249
where: short stacking energy: -290.266
Base-Backbone interact. energy: 4.055
local terms energy: -281.783987
where:
bonds (distance) C4'-P energy: -42.129
bonds (distance) P-C4' energy: -63.308
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -37.743
tors. eta vs tors. theta energy: -77.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -899.084339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.084339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.084339 (E_RNA)
where:
Base-Base interactions energy: -635.344
where: short stacking energy: -285.278
Base-Backbone interact. energy: -0.535
local terms energy: -263.204634
where:
bonds (distance) C4'-P energy: -40.061
bonds (distance) P-C4' energy: -51.092
flat angles C4'-P-C4' energy: -60.778
flat angles P-C4'-P energy: -39.267
tors. eta vs tors. theta energy: -72.007
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: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -675.225710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.225710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.225710 (E_RNA)
where:
Base-Base interactions energy: -436.212
where: short stacking energy: -188.001
Base-Backbone interact. energy: -0.614
local terms energy: -238.400195
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -55.893
flat angles C4'-P-C4' energy: -45.816
flat angles P-C4'-P energy: -45.123
tors. eta vs tors. theta energy: -45.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -536.967069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.967069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.967069 (E_RNA)
where:
Base-Base interactions energy: -338.668
where: short stacking energy: -175.683
Base-Backbone interact. energy: -0.314
local terms energy: -197.985451
where:
bonds (distance) C4'-P energy: -48.570
bonds (distance) P-C4' energy: -30.928
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -39.773
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -362.477666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.477666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.477666 (E_RNA)
where:
Base-Base interactions energy: -188.524
where: short stacking energy: -85.764
Base-Backbone interact. energy: -2.473
local terms energy: -171.481450
where:
bonds (distance) C4'-P energy: -62.404
bonds (distance) P-C4' energy: -49.785
flat angles C4'-P-C4' energy: -43.215
flat angles P-C4'-P energy: -25.142
tors. eta vs tors. theta energy: 9.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1149.994231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.994231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.994231 (E_RNA)
where:
Base-Base interactions energy: -821.922
where: short stacking energy: -334.704
Base-Backbone interact. energy: -1.663
local terms energy: -326.409090
where:
bonds (distance) C4'-P energy: -60.508
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -45.091
tors. eta vs tors. theta energy: -91.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1130.092798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.092798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.092798 (E_RNA)
where:
Base-Base interactions energy: -791.484
where: short stacking energy: -321.851
Base-Backbone interact. energy: -1.107
local terms energy: -337.501653
where:
bonds (distance) C4'-P energy: -65.256
bonds (distance) P-C4' energy: -55.756
flat angles C4'-P-C4' energy: -74.249
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -96.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1063.174350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.174350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.174350 (E_RNA)
where:
Base-Base interactions energy: -738.297
where: short stacking energy: -316.794
Base-Backbone interact. energy: -2.055
local terms energy: -322.822764
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -62.688
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -45.651
tors. eta vs tors. theta energy: -92.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1044.110590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.110590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.110590 (E_RNA)
where:
Base-Base interactions energy: -744.265
where: short stacking energy: -321.818
Base-Backbone interact. energy: -0.051
local terms energy: -299.794512
where:
bonds (distance) C4'-P energy: -51.459
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -43.322
tors. eta vs tors. theta energy: -86.044
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -977.082457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.082457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.082457 (E_RNA)
where:
Base-Base interactions energy: -676.268
where: short stacking energy: -293.373
Base-Backbone interact. energy: 1.616
local terms energy: -302.431421
where:
bonds (distance) C4'-P energy: -57.476
bonds (distance) P-C4' energy: -63.861
flat angles C4'-P-C4' energy: -56.005
flat angles P-C4'-P energy: -43.269
tors. eta vs tors. theta energy: -81.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -908.822534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.822534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.822534 (E_RNA)
where:
Base-Base interactions energy: -624.211
where: short stacking energy: -250.325
Base-Backbone interact. energy: -1.359
local terms energy: -283.252403
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -65.217
flat angles C4'-P-C4' energy: -61.617
flat angles P-C4'-P energy: -39.927
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: 7, replica: 5
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -887.825250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.825250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.825250 (E_RNA)
where:
Base-Base interactions energy: -620.200
where: short stacking energy: -271.513
Base-Backbone interact. energy: -1.353
local terms energy: -266.272572
where:
bonds (distance) C4'-P energy: -47.388
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -51.177
flat angles P-C4'-P energy: -35.206
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: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -648.824433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.824433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.824433 (E_RNA)
where:
Base-Base interactions energy: -424.973
where: short stacking energy: -182.012
Base-Backbone interact. energy: -1.492
local terms energy: -222.359568
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -51.084
flat angles P-C4'-P energy: -29.909
tors. eta vs tors. theta energy: -32.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -519.552886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.552886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.552886 (E_RNA)
where:
Base-Base interactions energy: -330.925
where: short stacking energy: -161.482
Base-Backbone interact. energy: 1.097
local terms energy: -189.725199
where:
bonds (distance) C4'-P energy: -46.131
bonds (distance) P-C4' energy: -50.854
flat angles C4'-P-C4' energy: -33.406
flat angles P-C4'-P energy: -33.627
tors. eta vs tors. theta energy: -25.707
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: 372
Temperature: 1.350000
Total energy: -379.963711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.963711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.963711 (E_RNA)
where:
Base-Base interactions energy: -214.899
where: short stacking energy: -108.469
Base-Backbone interact. energy: -2.414
local terms energy: -162.650566
where:
bonds (distance) C4'-P energy: -44.861
bonds (distance) P-C4' energy: -56.258
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -2.992
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: 3
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1149.071024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.071024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.071024 (E_RNA)
where:
Base-Base interactions energy: -825.163
where: short stacking energy: -345.345
Base-Backbone interact. energy: -0.246
local terms energy: -323.661707
where:
bonds (distance) C4'-P energy: -51.613
bonds (distance) P-C4' energy: -64.621
flat angles C4'-P-C4' energy: -70.743
flat angles P-C4'-P energy: -46.812
tors. eta vs tors. theta energy: -89.873
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: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1129.922272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.922272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.922272 (E_RNA)
where:
Base-Base interactions energy: -806.847
where: short stacking energy: -329.824
Base-Backbone interact. energy: -1.844
local terms energy: -321.231541
where:
bonds (distance) C4'-P energy: -55.906
bonds (distance) P-C4' energy: -61.136
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -40.557
tors. eta vs tors. theta energy: -94.707
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: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1040.002384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.002384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.002384 (E_RNA)
where:
Base-Base interactions energy: -727.414
where: short stacking energy: -316.180
Base-Backbone interact. energy: -0.809
local terms energy: -311.779362
where:
bonds (distance) C4'-P energy: -53.669
bonds (distance) P-C4' energy: -60.334
flat angles C4'-P-C4' energy: -64.816
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -92.559
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: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1045.178209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.178209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.178209 (E_RNA)
where:
Base-Base interactions energy: -743.061
where: short stacking energy: -323.071
Base-Backbone interact. energy: -1.432
local terms energy: -300.685734
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -66.316
flat angles P-C4'-P energy: -40.686
tors. eta vs tors. theta energy: -89.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -985.775489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.775489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.775489 (E_RNA)
where:
Base-Base interactions energy: -689.513
where: short stacking energy: -293.000
Base-Backbone interact. energy: -0.297
local terms energy: -295.965336
where:
bonds (distance) C4'-P energy: -55.052
bonds (distance) P-C4' energy: -70.914
flat angles C4'-P-C4' energy: -63.945
flat angles P-C4'-P energy: -32.533
tors. eta vs tors. theta energy: -73.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -901.462258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.462258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.462258 (E_RNA)
where:
Base-Base interactions energy: -619.183
where: short stacking energy: -274.001
Base-Backbone interact. energy: -0.512
local terms energy: -281.767213
where:
bonds (distance) C4'-P energy: -43.967
bonds (distance) P-C4' energy: -62.783
flat angles C4'-P-C4' energy: -61.219
flat angles P-C4'-P energy: -48.171
tors. eta vs tors. theta energy: -65.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -901.546282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.546282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.546282 (E_RNA)
where:
Base-Base interactions energy: -643.427
where: short stacking energy: -262.593
Base-Backbone interact. energy: -1.122
local terms energy: -256.997220
where:
bonds (distance) C4'-P energy: -49.032
bonds (distance) P-C4' energy: -52.977
flat angles C4'-P-C4' energy: -51.519
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -70.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -640.942636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.942636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.942636 (E_RNA)
where:
Base-Base interactions energy: -416.109
where: short stacking energy: -185.827
Base-Backbone interact. energy: -0.749
local terms energy: -224.085188
where:
bonds (distance) C4'-P energy: -49.211
bonds (distance) P-C4' energy: -49.089
flat angles C4'-P-C4' energy: -48.848
flat angles P-C4'-P energy: -38.959
tors. eta vs tors. theta energy: -37.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -547.469470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.469470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.469470 (E_RNA)
where:
Base-Base interactions energy: -332.979
where: short stacking energy: -177.906
Base-Backbone interact. energy: 0.135
local terms energy: -214.625210
where:
bonds (distance) C4'-P energy: -47.913
bonds (distance) P-C4' energy: -48.630
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -37.565
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: 373
Temperature: 1.350000
Total energy: -464.221406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.221406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.221406 (E_RNA)
where:
Base-Base interactions energy: -292.250
where: short stacking energy: -137.351
Base-Backbone interact. energy: 6.405
local terms energy: -178.375965
where:
bonds (distance) C4'-P energy: -41.598
bonds (distance) P-C4' energy: -51.864
flat angles C4'-P-C4' energy: -46.450
flat angles P-C4'-P energy: -23.453
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1166.768289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.768289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.768289 (E_RNA)
where:
Base-Base interactions energy: -834.627
where: short stacking energy: -334.449
Base-Backbone interact. energy: -2.510
local terms energy: -329.630810
where:
bonds (distance) C4'-P energy: -61.313
bonds (distance) P-C4' energy: -57.447
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -49.205
tors. eta vs tors. theta energy: -95.030
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: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1148.517725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.517725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.517725 (E_RNA)
where:
Base-Base interactions energy: -821.662
where: short stacking energy: -322.316
Base-Backbone interact. energy: -0.911
local terms energy: -325.944755
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -74.574
flat angles P-C4'-P energy: -39.822
tors. eta vs tors. theta energy: -95.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1030.802401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.802401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.802401 (E_RNA)
where:
Base-Base interactions energy: -709.842
where: short stacking energy: -291.495
Base-Backbone interact. energy: -1.260
local terms energy: -319.700392
where:
bonds (distance) C4'-P energy: -64.085
bonds (distance) P-C4' energy: -63.012
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: -83.702
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1026.677745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.677745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.677745 (E_RNA)
where:
Base-Base interactions energy: -724.903
where: short stacking energy: -321.130
Base-Backbone interact. energy: 0.330
local terms energy: -302.105088
where:
bonds (distance) C4'-P energy: -44.573
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -46.112
tors. eta vs tors. theta energy: -90.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -957.344423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.344423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.344423 (E_RNA)
where:
Base-Base interactions energy: -666.661
where: short stacking energy: -275.570
Base-Backbone interact. energy: -1.215
local terms energy: -289.468071
where:
bonds (distance) C4'-P energy: -57.747
bonds (distance) P-C4' energy: -51.293
flat angles C4'-P-C4' energy: -66.976
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -71.700
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: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -941.896205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.896205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.896205 (E_RNA)
where:
Base-Base interactions energy: -653.472
where: short stacking energy: -287.754
Base-Backbone interact. energy: 0.332
local terms energy: -288.755824
where:
bonds (distance) C4'-P energy: -56.816
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -59.890
flat angles P-C4'-P energy: -39.641
tors. eta vs tors. theta energy: -77.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -874.897561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.897561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.897561 (E_RNA)
where:
Base-Base interactions energy: -613.457
where: short stacking energy: -266.187
Base-Backbone interact. energy: 2.439
local terms energy: -263.879529
where:
bonds (distance) C4'-P energy: -45.007
bonds (distance) P-C4' energy: -52.157
flat angles C4'-P-C4' energy: -56.091
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -71.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -657.193426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.193426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.193426 (E_RNA)
where:
Base-Base interactions energy: -448.874
where: short stacking energy: -200.639
Base-Backbone interact. energy: -1.020
local terms energy: -207.299083
where:
bonds (distance) C4'-P energy: -42.466
bonds (distance) P-C4' energy: -50.495
flat angles C4'-P-C4' energy: -51.389
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -34.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -531.466955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.466955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.466955 (E_RNA)
where:
Base-Base interactions energy: -334.273
where: short stacking energy: -144.550
Base-Backbone interact. energy: -1.624
local terms energy: -195.570385
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -48.252
flat angles C4'-P-C4' energy: -52.865
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -473.673074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.673074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.673074 (E_RNA)
where:
Base-Base interactions energy: -294.256
where: short stacking energy: -141.043
Base-Backbone interact. energy: 0.582
local terms energy: -179.999846
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -34.319
flat angles P-C4'-P energy: -25.020
tors. eta vs tors. theta energy: -23.610
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: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1147.933529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.933529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.933529 (E_RNA)
where:
Base-Base interactions energy: -813.689
where: short stacking energy: -328.927
Base-Backbone interact. energy: 0.042
local terms energy: -334.287137
where:
bonds (distance) C4'-P energy: -62.302
bonds (distance) P-C4' energy: -65.828
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -49.103
tors. eta vs tors. theta energy: -90.607
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: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1132.341926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.341926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.341926 (E_RNA)
where:
Base-Base interactions energy: -801.785
where: short stacking energy: -309.468
Base-Backbone interact. energy: -2.165
local terms energy: -328.392189
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -72.828
flat angles P-C4'-P energy: -43.006
tors. eta vs tors. theta energy: -95.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1028.493983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.493983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.493983 (E_RNA)
where:
Base-Base interactions energy: -719.804
where: short stacking energy: -321.938
Base-Backbone interact. energy: -1.337
local terms energy: -307.353440
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -57.269
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -91.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1042.743629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.743629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.743629 (E_RNA)
where:
Base-Base interactions energy: -731.606
where: short stacking energy: -297.186
Base-Backbone interact. energy: -1.676
local terms energy: -309.461904
where:
bonds (distance) C4'-P energy: -63.380
bonds (distance) P-C4' energy: -53.525
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -85.136
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: 375
Temperature: 1.100000
Total energy: -969.496419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.496419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.496419 (E_RNA)
where:
Base-Base interactions energy: -668.865
where: short stacking energy: -288.808
Base-Backbone interact. energy: -1.450
local terms energy: -299.181693
where:
bonds (distance) C4'-P energy: -45.393
bonds (distance) P-C4' energy: -64.356
flat angles C4'-P-C4' energy: -72.288
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -76.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -931.078914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.078914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.078914 (E_RNA)
where:
Base-Base interactions energy: -644.696
where: short stacking energy: -278.915
Base-Backbone interact. energy: 0.258
local terms energy: -286.641120
where:
bonds (distance) C4'-P energy: -63.124
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -61.515
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -68.809
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: 375
Temperature: 1.200000
Total energy: -894.322952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.322952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.322952 (E_RNA)
where:
Base-Base interactions energy: -623.463
where: short stacking energy: -257.747
Base-Backbone interact. energy: -1.052
local terms energy: -269.807423
where:
bonds (distance) C4'-P energy: -50.603
bonds (distance) P-C4' energy: -49.820
flat angles C4'-P-C4' energy: -63.200
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -703.159509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.159509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.159509 (E_RNA)
where:
Base-Base interactions energy: -467.947
where: short stacking energy: -216.213
Base-Backbone interact. energy: 1.266
local terms energy: -236.478577
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -49.051
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -31.829
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -544.064345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.064345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.064345 (E_RNA)
where:
Base-Base interactions energy: -356.640
where: short stacking energy: -150.477
Base-Backbone interact. energy: 6.104
local terms energy: -193.527890
where:
bonds (distance) C4'-P energy: -43.175
bonds (distance) P-C4' energy: -61.374
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -18.616
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: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -480.522727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.522727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.522727 (E_RNA)
where:
Base-Base interactions energy: -304.931
where: short stacking energy: -144.100
Base-Backbone interact. energy: -0.562
local terms energy: -175.028917
where:
bonds (distance) C4'-P energy: -40.374
bonds (distance) P-C4' energy: -47.768
flat angles C4'-P-C4' energy: -36.441
flat angles P-C4'-P energy: -29.433
tors. eta vs tors. theta energy: -21.013
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1166.301104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.301104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.301104 (E_RNA)
where:
Base-Base interactions energy: -822.876
where: short stacking energy: -324.314
Base-Backbone interact. energy: -2.089
local terms energy: -341.336131
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -60.929
flat angles C4'-P-C4' energy: -70.129
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -94.429
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: 3
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1121.492539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.492539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.492539 (E_RNA)
where:
Base-Base interactions energy: -795.125
where: short stacking energy: -326.424
Base-Backbone interact. energy: -1.474
local terms energy: -324.893141
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -67.141
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -49.383
tors. eta vs tors. theta energy: -88.864
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: 2
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1025.635997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.635997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.635997 (E_RNA)
where:
Base-Base interactions energy: -714.862
where: short stacking energy: -321.780
Base-Backbone interact. energy: -0.320
local terms energy: -310.454501
where:
bonds (distance) C4'-P energy: -55.765
bonds (distance) P-C4' energy: -64.745
flat angles C4'-P-C4' energy: -62.214
flat angles P-C4'-P energy: -43.160
tors. eta vs tors. theta energy: -84.570
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: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1018.529818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.529818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.529818 (E_RNA)
where:
Base-Base interactions energy: -717.740
where: short stacking energy: -307.295
Base-Backbone interact. energy: -1.671
local terms energy: -299.119428
where:
bonds (distance) C4'-P energy: -56.477
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -64.242
flat angles P-C4'-P energy: -40.922
tors. eta vs tors. theta energy: -85.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1015.673719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.673719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.673719 (E_RNA)
where:
Base-Base interactions energy: -707.763
where: short stacking energy: -316.457
Base-Backbone interact. energy: -2.067
local terms energy: -305.842832
where:
bonds (distance) C4'-P energy: -56.155
bonds (distance) P-C4' energy: -55.048
flat angles C4'-P-C4' energy: -65.989
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -85.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -947.067888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.067888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.067888 (E_RNA)
where:
Base-Base interactions energy: -654.648
where: short stacking energy: -292.704
Base-Backbone interact. energy: 1.401
local terms energy: -293.821386
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -52.921
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -78.537
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: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -912.416943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.416943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.416943 (E_RNA)
where:
Base-Base interactions energy: -636.934
where: short stacking energy: -271.125
Base-Backbone interact. energy: -3.878
local terms energy: -271.605600
where:
bonds (distance) C4'-P energy: -46.081
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -64.076
flat angles P-C4'-P energy: -42.281
tors. eta vs tors. theta energy: -70.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -660.743984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.743984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.743984 (E_RNA)
where:
Base-Base interactions energy: -437.192
where: short stacking energy: -186.021
Base-Backbone interact. energy: -1.398
local terms energy: -222.154324
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -51.813
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: -46.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -552.835982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.835982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.835982 (E_RNA)
where:
Base-Base interactions energy: -334.287
where: short stacking energy: -157.395
Base-Backbone interact. energy: -1.013
local terms energy: -217.536260
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -43.155
flat angles P-C4'-P energy: -33.610
tors. eta vs tors. theta energy: -33.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -509.991910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.991910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.991910 (E_RNA)
where:
Base-Base interactions energy: -311.915
where: short stacking energy: -153.530
Base-Backbone interact. energy: -2.078
local terms energy: -195.998767
where:
bonds (distance) C4'-P energy: -48.130
bonds (distance) P-C4' energy: -49.190
flat angles C4'-P-C4' energy: -48.923
flat angles P-C4'-P energy: -32.268
tors. eta vs tors. theta energy: -17.487
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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1162.879362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.879362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.879362 (E_RNA)
where:
Base-Base interactions energy: -825.517
where: short stacking energy: -327.987
Base-Backbone interact. energy: -1.667
local terms energy: -335.695285
where:
bonds (distance) C4'-P energy: -67.143
bonds (distance) P-C4' energy: -53.748
flat angles C4'-P-C4' energy: -67.694
flat angles P-C4'-P energy: -49.558
tors. eta vs tors. theta energy: -97.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1113.925486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.925486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.925486 (E_RNA)
where:
Base-Base interactions energy: -798.150
where: short stacking energy: -325.880
Base-Backbone interact. energy: 2.551
local terms energy: -318.326535
where:
bonds (distance) C4'-P energy: -51.955
bonds (distance) P-C4' energy: -62.053
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -40.082
tors. eta vs tors. theta energy: -89.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1036.547852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.547852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.547852 (E_RNA)
where:
Base-Base interactions energy: -729.137
where: short stacking energy: -296.263
Base-Backbone interact. energy: -1.342
local terms energy: -306.068556
where:
bonds (distance) C4'-P energy: -59.817
bonds (distance) P-C4' energy: -58.034
flat angles C4'-P-C4' energy: -65.162
flat angles P-C4'-P energy: -45.784
tors. eta vs tors. theta energy: -77.271
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: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1024.305178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.305178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.305178 (E_RNA)
where:
Base-Base interactions energy: -724.822
where: short stacking energy: -313.833
Base-Backbone interact. energy: -1.336
local terms energy: -298.147408
where:
bonds (distance) C4'-P energy: -55.253
bonds (distance) P-C4' energy: -51.896
flat angles C4'-P-C4' energy: -66.271
flat angles P-C4'-P energy: -35.948
tors. eta vs tors. theta energy: -88.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -995.802032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.802032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.802032 (E_RNA)
where:
Base-Base interactions energy: -687.625
where: short stacking energy: -297.779
Base-Backbone interact. energy: 1.939
local terms energy: -310.115191
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -65.366
flat angles P-C4'-P energy: -43.936
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: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -941.580326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.580326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.580326 (E_RNA)
where:
Base-Base interactions energy: -652.000
where: short stacking energy: -300.689
Base-Backbone interact. energy: -1.348
local terms energy: -288.232640
where:
bonds (distance) C4'-P energy: -60.482
bonds (distance) P-C4' energy: -50.046
flat angles C4'-P-C4' energy: -56.565
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: -82.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -899.994963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.994963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.994963 (E_RNA)
where:
Base-Base interactions energy: -624.347
where: short stacking energy: -276.028
Base-Backbone interact. energy: 0.194
local terms energy: -275.842371
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -49.977
flat angles C4'-P-C4' energy: -61.639
flat angles P-C4'-P energy: -38.368
tors. eta vs tors. theta energy: -72.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -665.319404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.319404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.319404 (E_RNA)
where:
Base-Base interactions energy: -432.554
where: short stacking energy: -211.513
Base-Backbone interact. energy: 0.542
local terms energy: -233.307280
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -52.548
flat angles C4'-P-C4' energy: -52.424
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -44.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -521.198367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.198367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.198367 (E_RNA)
where:
Base-Base interactions energy: -322.859
where: short stacking energy: -157.597
Base-Backbone interact. energy: 6.414
local terms energy: -204.753772
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -50.538
flat angles P-C4'-P energy: -29.640
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -426.328798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.328798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.328798 (E_RNA)
where:
Base-Base interactions energy: -245.043
where: short stacking energy: -123.196
Base-Backbone interact. energy: -0.984
local terms energy: -180.301809
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -57.623
flat angles C4'-P-C4' energy: -40.879
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -11.753
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: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1150.644985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.644985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.644985 (E_RNA)
where:
Base-Base interactions energy: -822.100
where: short stacking energy: -328.888
Base-Backbone interact. energy: -1.543
local terms energy: -327.001821
where:
bonds (distance) C4'-P energy: -57.485
bonds (distance) P-C4' energy: -59.835
flat angles C4'-P-C4' energy: -68.005
flat angles P-C4'-P energy: -47.063
tors. eta vs tors. theta energy: -94.614
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: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1131.494944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.494944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.494944 (E_RNA)
where:
Base-Base interactions energy: -798.748
where: short stacking energy: -317.743
Base-Backbone interact. energy: -0.241
local terms energy: -332.506138
where:
bonds (distance) C4'-P energy: -68.302
bonds (distance) P-C4' energy: -65.718
flat angles C4'-P-C4' energy: -64.940
flat angles P-C4'-P energy: -46.770
tors. eta vs tors. theta energy: -86.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1028.217268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.217268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.217268 (E_RNA)
where:
Base-Base interactions energy: -703.143
where: short stacking energy: -295.855
Base-Backbone interact. energy: -0.996
local terms energy: -324.077410
where:
bonds (distance) C4'-P energy: -63.278
bonds (distance) P-C4' energy: -65.993
flat angles C4'-P-C4' energy: -68.167
flat angles P-C4'-P energy: -46.296
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: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1014.765547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.765547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.765547 (E_RNA)
where:
Base-Base interactions energy: -700.915
where: short stacking energy: -292.045
Base-Backbone interact. energy: -1.308
local terms energy: -312.542702
where:
bonds (distance) C4'-P energy: -60.687
bonds (distance) P-C4' energy: -58.569
flat angles C4'-P-C4' energy: -65.297
flat angles P-C4'-P energy: -44.563
tors. eta vs tors. theta energy: -83.427
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -984.949486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.949486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.949486 (E_RNA)
where:
Base-Base interactions energy: -687.935
where: short stacking energy: -294.649
Base-Backbone interact. energy: 0.654
local terms energy: -297.668912
where:
bonds (distance) C4'-P energy: -44.825
bonds (distance) P-C4' energy: -68.806
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -80.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -910.780602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.780602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.780602 (E_RNA)
where:
Base-Base interactions energy: -633.836
where: short stacking energy: -280.159
Base-Backbone interact. energy: 0.402
local terms energy: -277.346658
where:
bonds (distance) C4'-P energy: -55.509
bonds (distance) P-C4' energy: -53.155
flat angles C4'-P-C4' energy: -54.628
flat angles P-C4'-P energy: -38.871
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: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -868.775207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.775207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.775207 (E_RNA)
where:
Base-Base interactions energy: -611.507
where: short stacking energy: -259.117
Base-Backbone interact. energy: 0.323
local terms energy: -257.591015
where:
bonds (distance) C4'-P energy: -47.565
bonds (distance) P-C4' energy: -49.134
flat angles C4'-P-C4' energy: -49.251
flat angles P-C4'-P energy: -38.849
tors. eta vs tors. theta energy: -72.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -693.587667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.587667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.587667 (E_RNA)
where:
Base-Base interactions energy: -441.275
where: short stacking energy: -206.470
Base-Backbone interact. energy: -0.337
local terms energy: -251.975105
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -55.047
flat angles C4'-P-C4' energy: -63.134
flat angles P-C4'-P energy: -46.128
tors. eta vs tors. theta energy: -40.924
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: 378
Temperature: 1.300000
Total energy: -543.431096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.431096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.431096 (E_RNA)
where:
Base-Base interactions energy: -345.264
where: short stacking energy: -179.411
Base-Backbone interact. energy: -0.395
local terms energy: -197.771638
where:
bonds (distance) C4'-P energy: -52.368
bonds (distance) P-C4' energy: -39.358
flat angles C4'-P-C4' energy: -48.075
flat angles P-C4'-P energy: -31.475
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -416.254798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.254798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.254798 (E_RNA)
where:
Base-Base interactions energy: -234.083
where: short stacking energy: -122.880
Base-Backbone interact. energy: -0.663
local terms energy: -181.509181
where:
bonds (distance) C4'-P energy: -48.778
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -47.597
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1151.007219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.007219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.007219 (E_RNA)
where:
Base-Base interactions energy: -831.425
where: short stacking energy: -335.161
Base-Backbone interact. energy: -1.817
local terms energy: -317.764904
where:
bonds (distance) C4'-P energy: -64.227
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -71.518
flat angles P-C4'-P energy: -39.241
tors. eta vs tors. theta energy: -91.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1119.875484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.875484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.875484 (E_RNA)
where:
Base-Base interactions energy: -808.242
where: short stacking energy: -323.664
Base-Backbone interact. energy: -1.353
local terms energy: -310.279893
where:
bonds (distance) C4'-P energy: -60.569
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -68.375
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -85.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1044.320014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.320014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.320014 (E_RNA)
where:
Base-Base interactions energy: -724.992
where: short stacking energy: -316.896
Base-Backbone interact. energy: -1.613
local terms energy: -317.714991
where:
bonds (distance) C4'-P energy: -57.288
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -72.162
flat angles P-C4'-P energy: -43.602
tors. eta vs tors. theta energy: -90.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1019.978578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.978578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.978578 (E_RNA)
where:
Base-Base interactions energy: -719.522
where: short stacking energy: -312.502
Base-Backbone interact. energy: -1.403
local terms energy: -299.053455
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -66.782
flat angles C4'-P-C4' energy: -65.761
flat angles P-C4'-P energy: -42.325
tors. eta vs tors. theta energy: -74.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -986.004607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.004607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.004607 (E_RNA)
where:
Base-Base interactions energy: -691.734
where: short stacking energy: -287.901
Base-Backbone interact. energy: -0.867
local terms energy: -293.403708
where:
bonds (distance) C4'-P energy: -60.991
bonds (distance) P-C4' energy: -49.224
flat angles C4'-P-C4' energy: -59.824
flat angles P-C4'-P energy: -46.083
tors. eta vs tors. theta energy: -77.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -920.812379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.812379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.812379 (E_RNA)
where:
Base-Base interactions energy: -636.564
where: short stacking energy: -272.993
Base-Backbone interact. energy: -0.697
local terms energy: -283.551071
where:
bonds (distance) C4'-P energy: -58.156
bonds (distance) P-C4' energy: -59.142
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -37.215
tors. eta vs tors. theta energy: -69.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -907.162474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.162474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.162474 (E_RNA)
where:
Base-Base interactions energy: -625.543
where: short stacking energy: -275.796
Base-Backbone interact. energy: -0.680
local terms energy: -280.939803
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -60.261
flat angles C4'-P-C4' energy: -52.120
flat angles P-C4'-P energy: -36.086
tors. eta vs tors. theta energy: -79.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -652.045118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.045118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.045118 (E_RNA)
where:
Base-Base interactions energy: -424.851
where: short stacking energy: -174.538
Base-Backbone interact. energy: -0.362
local terms energy: -226.832156
where:
bonds (distance) C4'-P energy: -46.909
bonds (distance) P-C4' energy: -57.776
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -33.015
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -556.936648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.936648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.936648 (E_RNA)
where:
Base-Base interactions energy: -337.218
where: short stacking energy: -171.557
Base-Backbone interact. energy: 0.006
local terms energy: -219.725066
where:
bonds (distance) C4'-P energy: -59.538
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -51.650
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: -30.339
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: 10, replica: 4
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -425.045782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.045782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.045782 (E_RNA)
where:
Base-Base interactions energy: -247.994
where: short stacking energy: -147.279
Base-Backbone interact. energy: -1.750
local terms energy: -175.302254
where:
bonds (distance) C4'-P energy: -47.005
bonds (distance) P-C4' energy: -60.477
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -18.431
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1151.887287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.887287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.887287 (E_RNA)
where:
Base-Base interactions energy: -822.522
where: short stacking energy: -339.632
Base-Backbone interact. energy: -0.567
local terms energy: -328.797717
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -60.525
flat angles C4'-P-C4' energy: -68.067
flat angles P-C4'-P energy: -45.009
tors. eta vs tors. theta energy: -89.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1129.813634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.813634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.813634 (E_RNA)
where:
Base-Base interactions energy: -796.789
where: short stacking energy: -325.483
Base-Backbone interact. energy: -1.969
local terms energy: -331.054998
where:
bonds (distance) C4'-P energy: -62.947
bonds (distance) P-C4' energy: -63.426
flat angles C4'-P-C4' energy: -70.702
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -84.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1030.781195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.781195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.781195 (E_RNA)
where:
Base-Base interactions energy: -724.751
where: short stacking energy: -296.016
Base-Backbone interact. energy: -3.508
local terms energy: -302.522324
where:
bonds (distance) C4'-P energy: -57.590
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -71.995
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -77.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -994.995578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.995578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.995578 (E_RNA)
where:
Base-Base interactions energy: -701.505
where: short stacking energy: -293.327
Base-Backbone interact. energy: -0.247
local terms energy: -293.244080
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -55.485
flat angles C4'-P-C4' energy: -57.274
flat angles P-C4'-P energy: -49.685
tors. eta vs tors. theta energy: -80.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -941.124495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.124495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.124495 (E_RNA)
where:
Base-Base interactions energy: -665.670
where: short stacking energy: -287.106
Base-Backbone interact. energy: -2.633
local terms energy: -272.820993
where:
bonds (distance) C4'-P energy: -49.314
bonds (distance) P-C4' energy: -48.036
flat angles C4'-P-C4' energy: -58.176
flat angles P-C4'-P energy: -42.906
tors. eta vs tors. theta energy: -74.389
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: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -944.089313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.089313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.089313 (E_RNA)
where:
Base-Base interactions energy: -662.556
where: short stacking energy: -279.591
Base-Backbone interact. energy: -0.364
local terms energy: -281.169064
where:
bonds (distance) C4'-P energy: -37.188
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -60.974
flat angles P-C4'-P energy: -45.242
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: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -909.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.814312 (E_RNA)
where:
Base-Base interactions energy: -630.161
where: short stacking energy: -277.960
Base-Backbone interact. energy: -2.079
local terms energy: -277.574494
where:
bonds (distance) C4'-P energy: -45.377
bonds (distance) P-C4' energy: -56.672
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -43.192
tors. eta vs tors. theta energy: -72.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -648.564425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.564425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.564425 (E_RNA)
where:
Base-Base interactions energy: -419.820
where: short stacking energy: -186.867
Base-Backbone interact. energy: -0.995
local terms energy: -227.749323
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -51.488
flat angles C4'-P-C4' energy: -59.529
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -33.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -516.085625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.085625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.085625 (E_RNA)
where:
Base-Base interactions energy: -338.477
where: short stacking energy: -163.371
Base-Backbone interact. energy: -1.191
local terms energy: -176.417757
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -41.012
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -30.721
tors. eta vs tors. theta energy: -31.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -414.356454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.356454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.356454 (E_RNA)
where:
Base-Base interactions energy: -233.212
where: short stacking energy: -130.580
Base-Backbone interact. energy: -0.772
local terms energy: -180.371987
where:
bonds (distance) C4'-P energy: -45.521
bonds (distance) P-C4' energy: -59.360
flat angles C4'-P-C4' energy: -39.567
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -15.501
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: 6
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1163.379395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.379395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.379395 (E_RNA)
where:
Base-Base interactions energy: -836.048
where: short stacking energy: -338.487
Base-Backbone interact. energy: 0.718
local terms energy: -328.049214
where:
bonds (distance) C4'-P energy: -59.586
bonds (distance) P-C4' energy: -61.645
flat angles C4'-P-C4' energy: -68.127
flat angles P-C4'-P energy: -46.350
tors. eta vs tors. theta energy: -92.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1127.829068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.829068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.829068 (E_RNA)
where:
Base-Base interactions energy: -823.027
where: short stacking energy: -335.426
Base-Backbone interact. energy: -0.754
local terms energy: -304.048194
where:
bonds (distance) C4'-P energy: -54.905
bonds (distance) P-C4' energy: -55.739
flat angles C4'-P-C4' energy: -68.438
flat angles P-C4'-P energy: -38.564
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: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1037.481110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.481110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.481110 (E_RNA)
where:
Base-Base interactions energy: -724.600
where: short stacking energy: -310.592
Base-Backbone interact. energy: -0.221
local terms energy: -312.660394
where:
bonds (distance) C4'-P energy: -55.808
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -63.728
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -86.965
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: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1009.044790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.044790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.044790 (E_RNA)
where:
Base-Base interactions energy: -704.363
where: short stacking energy: -289.604
Base-Backbone interact. energy: -0.985
local terms energy: -303.696855
where:
bonds (distance) C4'-P energy: -58.418
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -62.077
flat angles P-C4'-P energy: -43.731
tors. eta vs tors. theta energy: -77.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -947.768953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.768953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.768953 (E_RNA)
where:
Base-Base interactions energy: -671.357
where: short stacking energy: -278.069
Base-Backbone interact. energy: -0.474
local terms energy: -275.938523
where:
bonds (distance) C4'-P energy: -52.521
bonds (distance) P-C4' energy: -56.030
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -40.080
tors. eta vs tors. theta energy: -70.615
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: 9
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -929.781623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.781623 (E_RNA)
where:
Base-Base interactions energy: -654.442
where: short stacking energy: -278.039
Base-Backbone interact. energy: -1.103
local terms energy: -274.236475
where:
bonds (distance) C4'-P energy: -57.807
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -67.451
flat angles P-C4'-P energy: -23.711
tors. eta vs tors. theta energy: -73.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -878.185724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.185724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.185724 (E_RNA)
where:
Base-Base interactions energy: -627.420
where: short stacking energy: -255.213
Base-Backbone interact. energy: 0.274
local terms energy: -251.039565
where:
bonds (distance) C4'-P energy: -41.429
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -34.155
tors. eta vs tors. theta energy: -63.373
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: 8
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -676.205763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.205763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.205763 (E_RNA)
where:
Base-Base interactions energy: -443.582
where: short stacking energy: -193.741
Base-Backbone interact. energy: -1.534
local terms energy: -231.089880
where:
bonds (distance) C4'-P energy: -53.537
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -41.254
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: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -497.535437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.535437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.535437 (E_RNA)
where:
Base-Base interactions energy: -309.885
where: short stacking energy: -134.687
Base-Backbone interact. energy: 3.895
local terms energy: -191.545181
where:
bonds (distance) C4'-P energy: -49.463
bonds (distance) P-C4' energy: -42.513
flat angles C4'-P-C4' energy: -43.579
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -11.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -416.548219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.548219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.548219 (E_RNA)
where:
Base-Base interactions energy: -242.297
where: short stacking energy: -142.576
Base-Backbone interact. energy: 4.131
local terms energy: -178.382878
where:
bonds (distance) C4'-P energy: -44.603
bonds (distance) P-C4' energy: -54.244
flat angles C4'-P-C4' energy: -41.222
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1155.329069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.329069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.329069 (E_RNA)
where:
Base-Base interactions energy: -841.557
where: short stacking energy: -322.977
Base-Backbone interact. energy: -2.956
local terms energy: -310.816468
where:
bonds (distance) C4'-P energy: -59.837
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -69.730
flat angles P-C4'-P energy: -37.420
tors. eta vs tors. theta energy: -90.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1136.996699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.996699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.996699 (E_RNA)
where:
Base-Base interactions energy: -828.108
where: short stacking energy: -335.825
Base-Backbone interact. energy: -3.300
local terms energy: -305.588070
where:
bonds (distance) C4'-P energy: -53.795
bonds (distance) P-C4' energy: -63.437
flat angles C4'-P-C4' energy: -63.727
flat angles P-C4'-P energy: -37.927
tors. eta vs tors. theta energy: -86.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1065.122309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.122309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.122309 (E_RNA)
where:
Base-Base interactions energy: -740.214
where: short stacking energy: -329.060
Base-Backbone interact. energy: -0.161
local terms energy: -324.747504
where:
bonds (distance) C4'-P energy: -57.402
bonds (distance) P-C4' energy: -60.162
flat angles C4'-P-C4' energy: -66.791
flat angles P-C4'-P energy: -53.226
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: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1032.612884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.612884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.612884 (E_RNA)
where:
Base-Base interactions energy: -729.355
where: short stacking energy: -290.117
Base-Backbone interact. energy: -1.005
local terms energy: -302.252798
where:
bonds (distance) C4'-P energy: -60.815
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -59.529
flat angles P-C4'-P energy: -38.107
tors. eta vs tors. theta energy: -82.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -931.723324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.723324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.723324 (E_RNA)
where:
Base-Base interactions energy: -666.349
where: short stacking energy: -282.026
Base-Backbone interact. energy: -0.512
local terms energy: -264.862573
where:
bonds (distance) C4'-P energy: -64.070
bonds (distance) P-C4' energy: -45.423
flat angles C4'-P-C4' energy: -56.820
flat angles P-C4'-P energy: -28.467
tors. eta vs tors. theta energy: -70.082
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: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -929.671320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.671320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.671320 (E_RNA)
where:
Base-Base interactions energy: -656.626
where: short stacking energy: -277.253
Base-Backbone interact. energy: -1.407
local terms energy: -271.638677
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -45.953
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -27.735
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: 7, replica: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -802.136621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.136621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.136621 (E_RNA)
where:
Base-Base interactions energy: -555.458
where: short stacking energy: -237.172
Base-Backbone interact. energy: -1.452
local terms energy: -245.226625
where:
bonds (distance) C4'-P energy: -58.655
bonds (distance) P-C4' energy: -41.291
flat angles C4'-P-C4' energy: -50.841
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -52.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -667.215777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.215777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.215777 (E_RNA)
where:
Base-Base interactions energy: -428.956
where: short stacking energy: -202.739
Base-Backbone interact. energy: -1.859
local terms energy: -236.400940
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -54.628
flat angles C4'-P-C4' energy: -59.132
flat angles P-C4'-P energy: -22.657
tors. eta vs tors. theta energy: -43.450
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: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -505.487198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.487198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.487198 (E_RNA)
where:
Base-Base interactions energy: -317.378
where: short stacking energy: -142.202
Base-Backbone interact. energy: -2.057
local terms energy: -186.051464
where:
bonds (distance) C4'-P energy: -48.014
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -36.317
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -27.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -424.634137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.634137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.634137 (E_RNA)
where:
Base-Base interactions energy: -219.828
where: short stacking energy: -127.276
Base-Backbone interact. energy: 0.458
local terms energy: -205.263763
where:
bonds (distance) C4'-P energy: -52.295
bonds (distance) P-C4' energy: -45.212
flat angles C4'-P-C4' energy: -53.213
flat angles P-C4'-P energy: -30.012
tors. eta vs tors. theta energy: -24.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1163.882121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.882121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.882121 (E_RNA)
where:
Base-Base interactions energy: -840.402
where: short stacking energy: -325.270
Base-Backbone interact. energy: -2.849
local terms energy: -320.631732
where:
bonds (distance) C4'-P energy: -59.210
bonds (distance) P-C4' energy: -66.897
flat angles C4'-P-C4' energy: -58.154
flat angles P-C4'-P energy: -42.041
tors. eta vs tors. theta energy: -94.330
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: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1134.330273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.330273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.330273 (E_RNA)
where:
Base-Base interactions energy: -816.598
where: short stacking energy: -337.706
Base-Backbone interact. energy: 2.327
local terms energy: -320.058933
where:
bonds (distance) C4'-P energy: -56.076
bonds (distance) P-C4' energy: -64.671
flat angles C4'-P-C4' energy: -68.625
flat angles P-C4'-P energy: -40.022
tors. eta vs tors. theta energy: -90.665
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: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1049.066543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.066543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.066543 (E_RNA)
where:
Base-Base interactions energy: -728.809
where: short stacking energy: -309.344
Base-Backbone interact. energy: -0.518
local terms energy: -319.739759
where:
bonds (distance) C4'-P energy: -61.402
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -70.044
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -84.801
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: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1042.373346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.373346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.373346 (E_RNA)
where:
Base-Base interactions energy: -740.675
where: short stacking energy: -314.692
Base-Backbone interact. energy: -0.740
local terms energy: -300.958901
where:
bonds (distance) C4'-P energy: -40.682
bonds (distance) P-C4' energy: -53.853
flat angles C4'-P-C4' energy: -69.269
flat angles P-C4'-P energy: -48.405
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: 9
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -962.579642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.579642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.579642 (E_RNA)
where:
Base-Base interactions energy: -673.470
where: short stacking energy: -295.738
Base-Backbone interact. energy: -0.919
local terms energy: -288.190847
where:
bonds (distance) C4'-P energy: -46.400
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -59.818
flat angles P-C4'-P energy: -49.360
tors. eta vs tors. theta energy: -83.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -962.491758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.491758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.491758 (E_RNA)
where:
Base-Base interactions energy: -674.667
where: short stacking energy: -268.459
Base-Backbone interact. energy: -0.239
local terms energy: -287.585651
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -61.931
flat angles C4'-P-C4' energy: -59.141
flat angles P-C4'-P energy: -32.467
tors. eta vs tors. theta energy: -82.296
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: 383
Temperature: 1.200000
Total energy: -845.225198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.225198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.225198 (E_RNA)
where:
Base-Base interactions energy: -592.022
where: short stacking energy: -248.189
Base-Backbone interact. energy: 0.134
local terms energy: -253.337560
where:
bonds (distance) C4'-P energy: -55.315
bonds (distance) P-C4' energy: -44.202
flat angles C4'-P-C4' energy: -66.598
flat angles P-C4'-P energy: -29.026
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: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -637.102935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.102935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.102935 (E_RNA)
where:
Base-Base interactions energy: -418.741
where: short stacking energy: -188.333
Base-Backbone interact. energy: 0.746
local terms energy: -219.108539
where:
bonds (distance) C4'-P energy: -48.682
bonds (distance) P-C4' energy: -36.211
flat angles C4'-P-C4' energy: -60.167
flat angles P-C4'-P energy: -43.601
tors. eta vs tors. theta energy: -30.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -541.772003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.772003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.772003 (E_RNA)
where:
Base-Base interactions energy: -306.463
where: short stacking energy: -154.328
Base-Backbone interact. energy: -0.796
local terms energy: -234.512598
where:
bonds (distance) C4'-P energy: -53.622
bonds (distance) P-C4' energy: -61.993
flat angles C4'-P-C4' energy: -60.809
flat angles P-C4'-P energy: -30.154
tors. eta vs tors. theta energy: -27.934
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: 10, replica: 4
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -410.077047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.077047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.077047 (E_RNA)
where:
Base-Base interactions energy: -215.699
where: short stacking energy: -121.210
Base-Backbone interact. energy: 4.106
local terms energy: -198.483900
where:
bonds (distance) C4'-P energy: -55.524
bonds (distance) P-C4' energy: -59.398
flat angles C4'-P-C4' energy: -51.732
flat angles P-C4'-P energy: -23.640
tors. eta vs tors. theta energy: -8.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1140.019834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.019834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.019834 (E_RNA)
where:
Base-Base interactions energy: -804.922
where: short stacking energy: -313.556
Base-Backbone interact. energy: -2.551
local terms energy: -332.547072
where:
bonds (distance) C4'-P energy: -68.207
bonds (distance) P-C4' energy: -63.630
flat angles C4'-P-C4' energy: -66.948
flat angles P-C4'-P energy: -44.240
tors. eta vs tors. theta energy: -89.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1132.695637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.695637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.695637 (E_RNA)
where:
Base-Base interactions energy: -810.761
where: short stacking energy: -324.097
Base-Backbone interact. energy: -0.478
local terms energy: -321.456834
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -66.490
flat angles C4'-P-C4' energy: -66.863
flat angles P-C4'-P energy: -43.632
tors. eta vs tors. theta energy: -89.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1063.265199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.265199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.265199 (E_RNA)
where:
Base-Base interactions energy: -742.958
where: short stacking energy: -320.119
Base-Backbone interact. energy: 0.933
local terms energy: -321.239811
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -56.057
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -100.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1036.358818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.358818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.358818 (E_RNA)
where:
Base-Base interactions energy: -750.829
where: short stacking energy: -301.364
Base-Backbone interact. energy: -1.286
local terms energy: -284.242859
where:
bonds (distance) C4'-P energy: -53.337
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -68.267
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: -86.787
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: 9
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -937.439198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.439198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.439198 (E_RNA)
where:
Base-Base interactions energy: -649.980
where: short stacking energy: -271.542
Base-Backbone interact. energy: -1.398
local terms energy: -286.061684
where:
bonds (distance) C4'-P energy: -49.632
bonds (distance) P-C4' energy: -47.651
flat angles C4'-P-C4' energy: -63.964
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -84.973
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: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -950.187100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.187100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.187100 (E_RNA)
where:
Base-Base interactions energy: -669.104
where: short stacking energy: -287.126
Base-Backbone interact. energy: 4.164
local terms energy: -285.246818
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -63.388
flat angles C4'-P-C4' energy: -66.405
flat angles P-C4'-P energy: -28.634
tors. eta vs tors. theta energy: -77.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -868.961179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.961179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.961179 (E_RNA)
where:
Base-Base interactions energy: -613.362
where: short stacking energy: -266.373
Base-Backbone interact. energy: 0.037
local terms energy: -255.636022
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -49.554
flat angles C4'-P-C4' energy: -54.147
flat angles P-C4'-P energy: -36.198
tors. eta vs tors. theta energy: -64.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -661.298813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.298813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.298813 (E_RNA)
where:
Base-Base interactions energy: -418.322
where: short stacking energy: -188.557
Base-Backbone interact. energy: -0.752
local terms energy: -242.225170
where:
bonds (distance) C4'-P energy: -45.096
bonds (distance) P-C4' energy: -60.453
flat angles C4'-P-C4' energy: -52.498
flat angles P-C4'-P energy: -39.005
tors. eta vs tors. theta energy: -45.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -506.911475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.911475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.911475 (E_RNA)
where:
Base-Base interactions energy: -306.828
where: short stacking energy: -165.962
Base-Backbone interact. energy: -2.003
local terms energy: -198.080665
where:
bonds (distance) C4'-P energy: -49.829
bonds (distance) P-C4' energy: -49.724
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -28.418
tors. eta vs tors. theta energy: -27.412
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: 4
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -383.205999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.205999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.205999 (E_RNA)
where:
Base-Base interactions energy: -214.500
where: short stacking energy: -110.019
Base-Backbone interact. energy: -0.976
local terms energy: -167.730817
where:
bonds (distance) C4'-P energy: -49.224
bonds (distance) P-C4' energy: -39.323
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -6.250
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: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1145.310005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.310005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.310005 (E_RNA)
where:
Base-Base interactions energy: -817.080
where: short stacking energy: -323.516
Base-Backbone interact. energy: -2.771
local terms energy: -325.458275
where:
bonds (distance) C4'-P energy: -60.012
bonds (distance) P-C4' energy: -63.129
flat angles C4'-P-C4' energy: -62.534
flat angles P-C4'-P energy: -47.960
tors. eta vs tors. theta energy: -91.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1148.435907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.435907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.435907 (E_RNA)
where:
Base-Base interactions energy: -823.309
where: short stacking energy: -326.291
Base-Backbone interact. energy: -1.334
local terms energy: -323.792690
where:
bonds (distance) C4'-P energy: -63.029
bonds (distance) P-C4' energy: -66.047
flat angles C4'-P-C4' energy: -64.957
flat angles P-C4'-P energy: -41.678
tors. eta vs tors. theta energy: -88.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1062.235350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.235350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.235350 (E_RNA)
where:
Base-Base interactions energy: -748.341
where: short stacking energy: -326.552
Base-Backbone interact. energy: -1.985
local terms energy: -311.909534
where:
bonds (distance) C4'-P energy: -50.357
bonds (distance) P-C4' energy: -71.539
flat angles C4'-P-C4' energy: -63.747
flat angles P-C4'-P energy: -34.658
tors. eta vs tors. theta energy: -91.608
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: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1037.765182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.765182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.765182 (E_RNA)
where:
Base-Base interactions energy: -746.581
where: short stacking energy: -304.996
Base-Backbone interact. energy: -2.089
local terms energy: -289.094459
where:
bonds (distance) C4'-P energy: -54.393
bonds (distance) P-C4' energy: -54.589
flat angles C4'-P-C4' energy: -63.771
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -76.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -928.721375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.721375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.721375 (E_RNA)
where:
Base-Base interactions energy: -643.232
where: short stacking energy: -285.274
Base-Backbone interact. energy: -1.116
local terms energy: -284.374008
where:
bonds (distance) C4'-P energy: -51.623
bonds (distance) P-C4' energy: -56.340
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -38.093
tors. eta vs tors. theta energy: -79.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -929.905883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.905883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.905883 (E_RNA)
where:
Base-Base interactions energy: -644.917
where: short stacking energy: -295.092
Base-Backbone interact. energy: 5.133
local terms energy: -290.121956
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -47.521
flat angles C4'-P-C4' energy: -66.976
flat angles P-C4'-P energy: -44.977
tors. eta vs tors. theta energy: -77.887
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: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -845.084669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.084669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.084669 (E_RNA)
where:
Base-Base interactions energy: -586.295
where: short stacking energy: -239.699
Base-Backbone interact. energy: -0.544
local terms energy: -258.245721
where:
bonds (distance) C4'-P energy: -43.084
bonds (distance) P-C4' energy: -54.823
flat angles C4'-P-C4' energy: -60.390
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -64.071
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -644.120989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.120989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.120989 (E_RNA)
where:
Base-Base interactions energy: -423.655
where: short stacking energy: -180.437
Base-Backbone interact. energy: 0.603
local terms energy: -221.068744
where:
bonds (distance) C4'-P energy: -58.502
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -48.181
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -29.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -501.175219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.175219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.175219 (E_RNA)
where:
Base-Base interactions energy: -316.258
where: short stacking energy: -178.659
Base-Backbone interact. energy: -0.629
local terms energy: -184.287672
where:
bonds (distance) C4'-P energy: -44.266
bonds (distance) P-C4' energy: -38.784
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -27.610
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -374.681637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.681637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.681637 (E_RNA)
where:
Base-Base interactions energy: -200.619
where: short stacking energy: -115.023
Base-Backbone interact. energy: -1.790
local terms energy: -172.272088
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -49.462
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -28.829
tors. eta vs tors. theta energy: 2.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1176.014970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.014970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.014970 (E_RNA)
where:
Base-Base interactions energy: -853.282
where: short stacking energy: -347.681
Base-Backbone interact. energy: -0.156
local terms energy: -322.576411
where:
bonds (distance) C4'-P energy: -56.243
bonds (distance) P-C4' energy: -64.239
flat angles C4'-P-C4' energy: -68.161
flat angles P-C4'-P energy: -44.659
tors. eta vs tors. theta energy: -89.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1127.392679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.392679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.392679 (E_RNA)
where:
Base-Base interactions energy: -806.670
where: short stacking energy: -310.139
Base-Backbone interact. energy: -0.030
local terms energy: -320.692923
where:
bonds (distance) C4'-P energy: -58.824
bonds (distance) P-C4' energy: -61.497
flat angles C4'-P-C4' energy: -65.795
flat angles P-C4'-P energy: -41.184
tors. eta vs tors. theta energy: -93.394
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: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1048.950898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.950898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.950898 (E_RNA)
where:
Base-Base interactions energy: -747.403
where: short stacking energy: -329.733
Base-Backbone interact. energy: -1.037
local terms energy: -300.511294
where:
bonds (distance) C4'-P energy: -55.764
bonds (distance) P-C4' energy: -53.618
flat angles C4'-P-C4' energy: -60.826
flat angles P-C4'-P energy: -36.714
tors. eta vs tors. theta energy: -93.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1033.586473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.586473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.586473 (E_RNA)
where:
Base-Base interactions energy: -713.380
where: short stacking energy: -305.748
Base-Backbone interact. energy: -0.922
local terms energy: -319.285183
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -59.411
flat angles C4'-P-C4' energy: -68.844
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: -85.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -970.769308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.769308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.769308 (E_RNA)
where:
Base-Base interactions energy: -694.607
where: short stacking energy: -295.647
Base-Backbone interact. energy: -0.325
local terms energy: -275.837236
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -43.051
flat angles C4'-P-C4' energy: -62.053
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -79.354
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: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -928.200721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.200721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.200721 (E_RNA)
where:
Base-Base interactions energy: -652.400
where: short stacking energy: -281.736
Base-Backbone interact. energy: 1.307
local terms energy: -277.107712
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -56.347
flat angles P-C4'-P energy: -34.091
tors. eta vs tors. theta energy: -82.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -829.502220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.502220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.502220 (E_RNA)
where:
Base-Base interactions energy: -548.700
where: short stacking energy: -228.432
Base-Backbone interact. energy: -0.488
local terms energy: -280.314435
where:
bonds (distance) C4'-P energy: -56.727
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -64.836
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -63.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -652.801637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.801637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.801637 (E_RNA)
where:
Base-Base interactions energy: -425.073
where: short stacking energy: -190.530
Base-Backbone interact. energy: -0.946
local terms energy: -226.781968
where:
bonds (distance) C4'-P energy: -62.501
bonds (distance) P-C4' energy: -50.774
flat angles C4'-P-C4' energy: -51.181
flat angles P-C4'-P energy: -31.050
tors. eta vs tors. theta energy: -31.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -505.661341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.661341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.661341 (E_RNA)
where:
Base-Base interactions energy: -289.893
where: short stacking energy: -154.259
Base-Backbone interact. energy: -0.687
local terms energy: -215.081634
where:
bonds (distance) C4'-P energy: -55.773
bonds (distance) P-C4' energy: -43.948
flat angles C4'-P-C4' energy: -59.130
flat angles P-C4'-P energy: -26.815
tors. eta vs tors. theta energy: -29.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -406.248691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.248691 (E_RNA)
where:
Base-Base interactions energy: -227.280
where: short stacking energy: -116.187
Base-Backbone interact. energy: -0.404
local terms energy: -178.564450
where:
bonds (distance) C4'-P energy: -52.799
bonds (distance) P-C4' energy: -45.754
flat angles C4'-P-C4' energy: -44.951
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -8.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1168.787200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.787200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.787200 (E_RNA)
where:
Base-Base interactions energy: -836.213
where: short stacking energy: -340.596
Base-Backbone interact. energy: -1.382
local terms energy: -331.191785
where:
bonds (distance) C4'-P energy: -66.483
bonds (distance) P-C4' energy: -59.368
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -90.985
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: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1135.002505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.002505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.002505 (E_RNA)
where:
Base-Base interactions energy: -814.042
where: short stacking energy: -310.388
Base-Backbone interact. energy: 1.931
local terms energy: -322.891730
where:
bonds (distance) C4'-P energy: -58.430
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -69.120
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: -94.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1057.177162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.177162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.177162 (E_RNA)
where:
Base-Base interactions energy: -753.753
where: short stacking energy: -319.029
Base-Backbone interact. energy: -0.876
local terms energy: -302.548722
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -63.014
flat angles C4'-P-C4' energy: -60.350
flat angles P-C4'-P energy: -36.771
tors. eta vs tors. theta energy: -83.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1015.007344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.007344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.007344 (E_RNA)
where:
Base-Base interactions energy: -700.927
where: short stacking energy: -300.389
Base-Backbone interact. energy: -1.013
local terms energy: -313.068105
where:
bonds (distance) C4'-P energy: -59.392
bonds (distance) P-C4' energy: -63.333
flat angles C4'-P-C4' energy: -61.240
flat angles P-C4'-P energy: -42.549
tors. eta vs tors. theta energy: -86.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -963.905194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.905194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.905194 (E_RNA)
where:
Base-Base interactions energy: -675.202
where: short stacking energy: -279.179
Base-Backbone interact. energy: -1.125
local terms energy: -287.578580
where:
bonds (distance) C4'-P energy: -52.075
bonds (distance) P-C4' energy: -53.912
flat angles C4'-P-C4' energy: -54.956
flat angles P-C4'-P energy: -41.161
tors. eta vs tors. theta energy: -85.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -906.819939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.819939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.819939 (E_RNA)
where:
Base-Base interactions energy: -626.834
where: short stacking energy: -289.514
Base-Backbone interact. energy: 0.273
local terms energy: -280.259682
where:
bonds (distance) C4'-P energy: -49.577
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -62.918
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -68.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -765.595992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.595992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.595992 (E_RNA)
where:
Base-Base interactions energy: -520.644
where: short stacking energy: -217.933
Base-Backbone interact. energy: -1.797
local terms energy: -243.154787
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -52.986
flat angles C4'-P-C4' energy: -59.209
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -46.814
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: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -637.295342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.295342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.295342 (E_RNA)
where:
Base-Base interactions energy: -415.468
where: short stacking energy: -199.624
Base-Backbone interact. energy: -3.082
local terms energy: -218.744924
where:
bonds (distance) C4'-P energy: -46.134
bonds (distance) P-C4' energy: -56.961
flat angles C4'-P-C4' energy: -47.840
flat angles P-C4'-P energy: -23.659
tors. eta vs tors. theta energy: -44.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -505.032192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.032192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.032192 (E_RNA)
where:
Base-Base interactions energy: -307.088
where: short stacking energy: -158.763
Base-Backbone interact. energy: 0.454
local terms energy: -198.397518
where:
bonds (distance) C4'-P energy: -55.167
bonds (distance) P-C4' energy: -47.577
flat angles C4'-P-C4' energy: -46.350
flat angles P-C4'-P energy: -29.853
tors. eta vs tors. theta energy: -19.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -419.246983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.246983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.246983 (E_RNA)
where:
Base-Base interactions energy: -242.433
where: short stacking energy: -132.946
Base-Backbone interact. energy: 0.834
local terms energy: -177.648439
where:
bonds (distance) C4'-P energy: -38.647
bonds (distance) P-C4' energy: -41.355
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -30.404
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1145.096357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.096357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.096357 (E_RNA)
where:
Base-Base interactions energy: -827.451
where: short stacking energy: -333.527
Base-Backbone interact. energy: -1.379
local terms energy: -316.266285
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -60.019
flat angles C4'-P-C4' energy: -74.519
flat angles P-C4'-P energy: -46.054
tors. eta vs tors. theta energy: -92.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1138.549656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.549656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.549656 (E_RNA)
where:
Base-Base interactions energy: -809.031
where: short stacking energy: -328.424
Base-Backbone interact. energy: -1.587
local terms energy: -327.931864
where:
bonds (distance) C4'-P energy: -65.776
bonds (distance) P-C4' energy: -55.637
flat angles C4'-P-C4' energy: -69.095
flat angles P-C4'-P energy: -42.414
tors. eta vs tors. theta energy: -95.010
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: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1031.091463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.091463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.091463 (E_RNA)
where:
Base-Base interactions energy: -735.974
where: short stacking energy: -304.302
Base-Backbone interact. energy: -1.273
local terms energy: -293.844558
where:
bonds (distance) C4'-P energy: -49.843
bonds (distance) P-C4' energy: -51.248
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -46.765
tors. eta vs tors. theta energy: -84.878
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: 388
Temperature: 1.050000
Total energy: -1034.313199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.313199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.313199 (E_RNA)
where:
Base-Base interactions energy: -724.764
where: short stacking energy: -302.203
Base-Backbone interact. energy: -0.811
local terms energy: -308.737793
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -57.725
flat angles C4'-P-C4' energy: -65.600
flat angles P-C4'-P energy: -42.931
tors. eta vs tors. theta energy: -91.747
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: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -960.406386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.406386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.406386 (E_RNA)
where:
Base-Base interactions energy: -654.135
where: short stacking energy: -291.602
Base-Backbone interact. energy: -0.741
local terms energy: -305.530672
where:
bonds (distance) C4'-P energy: -55.179
bonds (distance) P-C4' energy: -52.557
flat angles C4'-P-C4' energy: -69.460
flat angles P-C4'-P energy: -47.992
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: 6, replica: 9
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -907.432087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.432087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.432087 (E_RNA)
where:
Base-Base interactions energy: -622.445
where: short stacking energy: -259.841
Base-Backbone interact. energy: -1.768
local terms energy: -283.219531
where:
bonds (distance) C4'-P energy: -50.942
bonds (distance) P-C4' energy: -54.500
flat angles C4'-P-C4' energy: -65.820
flat angles P-C4'-P energy: -40.610
tors. eta vs tors. theta energy: -71.347
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: 388
Temperature: 1.200000
Total energy: -819.294038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.294038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.294038 (E_RNA)
where:
Base-Base interactions energy: -575.053
where: short stacking energy: -235.972
Base-Backbone interact. energy: -1.537
local terms energy: -242.703371
where:
bonds (distance) C4'-P energy: -36.437
bonds (distance) P-C4' energy: -54.013
flat angles C4'-P-C4' energy: -61.508
flat angles P-C4'-P energy: -30.290
tors. eta vs tors. theta energy: -60.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -605.551467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.551467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.551467 (E_RNA)
where:
Base-Base interactions energy: -395.844
where: short stacking energy: -178.339
Base-Backbone interact. energy: -2.123
local terms energy: -207.584159
where:
bonds (distance) C4'-P energy: -40.445
bonds (distance) P-C4' energy: -56.555
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -22.508
tors. eta vs tors. theta energy: -28.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -556.120732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.120732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.120732 (E_RNA)
where:
Base-Base interactions energy: -339.711
where: short stacking energy: -169.544
Base-Backbone interact. energy: -0.668
local terms energy: -215.741243
where:
bonds (distance) C4'-P energy: -47.446
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -46.838
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: -33.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -421.526792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.526792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.526792 (E_RNA)
where:
Base-Base interactions energy: -235.409
where: short stacking energy: -131.559
Base-Backbone interact. energy: 2.248
local terms energy: -188.366138
where:
bonds (distance) C4'-P energy: -50.019
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -45.593
flat angles P-C4'-P energy: -20.716
tors. eta vs tors. theta energy: -21.785
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: 389
Temperature: 0.900000
Total energy: -1133.873985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.873985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.873985 (E_RNA)
where:
Base-Base interactions energy: -813.154
where: short stacking energy: -330.489
Base-Backbone interact. energy: -0.673
local terms energy: -320.046313
where:
bonds (distance) C4'-P energy: -55.067
bonds (distance) P-C4' energy: -65.412
flat angles C4'-P-C4' energy: -64.963
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: -86.034
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: 6
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1117.045559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.045559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.045559 (E_RNA)
where:
Base-Base interactions energy: -784.615
where: short stacking energy: -309.347
Base-Backbone interact. energy: -3.594
local terms energy: -328.836999
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -60.702
flat angles C4'-P-C4' energy: -61.711
flat angles P-C4'-P energy: -50.872
tors. eta vs tors. theta energy: -92.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1047.131924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.131924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.131924 (E_RNA)
where:
Base-Base interactions energy: -728.168
where: short stacking energy: -309.621
Base-Backbone interact. energy: 6.296
local terms energy: -325.260672
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -59.869
flat angles P-C4'-P energy: -52.468
tors. eta vs tors. theta energy: -92.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1017.974502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.974502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.974502 (E_RNA)
where:
Base-Base interactions energy: -708.612
where: short stacking energy: -310.325
Base-Backbone interact. energy: 0.276
local terms energy: -309.638122
where:
bonds (distance) C4'-P energy: -61.497
bonds (distance) P-C4' energy: -58.221
flat angles C4'-P-C4' energy: -68.935
flat angles P-C4'-P energy: -31.948
tors. eta vs tors. theta energy: -89.037
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: 389
Temperature: 1.100000
Total energy: -972.772423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.772423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.772423 (E_RNA)
where:
Base-Base interactions energy: -692.147
where: short stacking energy: -300.988
Base-Backbone interact. energy: -0.625
local terms energy: -280.000882
where:
bonds (distance) C4'-P energy: -51.961
bonds (distance) P-C4' energy: -63.312
flat angles C4'-P-C4' energy: -56.044
flat angles P-C4'-P energy: -30.798
tors. eta vs tors. theta energy: -77.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -927.085543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.085543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.085543 (E_RNA)
where:
Base-Base interactions energy: -655.184
where: short stacking energy: -287.456
Base-Backbone interact. energy: 2.205
local terms energy: -274.106850
where:
bonds (distance) C4'-P energy: -46.436
bonds (distance) P-C4' energy: -58.975
flat angles C4'-P-C4' energy: -62.763
flat angles P-C4'-P energy: -26.056
tors. eta vs tors. theta energy: -79.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -851.159070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.159070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.159070 (E_RNA)
where:
Base-Base interactions energy: -609.063
where: short stacking energy: -252.650
Base-Backbone interact. energy: 0.028
local terms energy: -242.123984
where:
bonds (distance) C4'-P energy: -43.698
bonds (distance) P-C4' energy: -52.254
flat angles C4'-P-C4' energy: -51.123
flat angles P-C4'-P energy: -30.967
tors. eta vs tors. theta energy: -64.081
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: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -613.102894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.102894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.102894 (E_RNA)
where:
Base-Base interactions energy: -406.218
where: short stacking energy: -173.923
Base-Backbone interact. energy: -1.235
local terms energy: -205.649679
where:
bonds (distance) C4'-P energy: -51.311
bonds (distance) P-C4' energy: -40.963
flat angles C4'-P-C4' energy: -54.970
flat angles P-C4'-P energy: -34.173
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -491.406888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.406888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.406888 (E_RNA)
where:
Base-Base interactions energy: -308.753
where: short stacking energy: -159.107
Base-Backbone interact. energy: 3.029
local terms energy: -185.682515
where:
bonds (distance) C4'-P energy: -43.626
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -48.999
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: -23.136
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: 4
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -411.410830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.410830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.410830 (E_RNA)
where:
Base-Base interactions energy: -224.636
where: short stacking energy: -144.694
Base-Backbone interact. energy: 0.325
local terms energy: -187.099276
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -43.965
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -27.505
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: 390
Temperature: 0.900000
Total energy: -1143.404345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.404345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.404345 (E_RNA)
where:
Base-Base interactions energy: -824.370
where: short stacking energy: -333.130
Base-Backbone interact. energy: -1.398
local terms energy: -317.636114
where:
bonds (distance) C4'-P energy: -62.801
bonds (distance) P-C4' energy: -69.199
flat angles C4'-P-C4' energy: -66.786
flat angles P-C4'-P energy: -34.166
tors. eta vs tors. theta energy: -84.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1140.688921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.688921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.688921 (E_RNA)
where:
Base-Base interactions energy: -820.172
where: short stacking energy: -324.334
Base-Backbone interact. energy: 0.469
local terms energy: -320.985778
where:
bonds (distance) C4'-P energy: -56.957
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -67.483
flat angles P-C4'-P energy: -40.208
tors. eta vs tors. theta energy: -93.295
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: 1
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1048.668190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.668190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.668190 (E_RNA)
where:
Base-Base interactions energy: -744.934
where: short stacking energy: -329.756
Base-Backbone interact. energy: -1.092
local terms energy: -302.642809
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -48.890
flat angles C4'-P-C4' energy: -67.781
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -90.837
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: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1030.220970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.220970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.220970 (E_RNA)
where:
Base-Base interactions energy: -723.481
where: short stacking energy: -311.137
Base-Backbone interact. energy: -1.803
local terms energy: -304.937114
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -62.934
flat angles P-C4'-P energy: -38.316
tors. eta vs tors. theta energy: -82.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -967.360317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.360317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.360317 (E_RNA)
where:
Base-Base interactions energy: -651.753
where: short stacking energy: -295.793
Base-Backbone interact. energy: -0.940
local terms energy: -314.666925
where:
bonds (distance) C4'-P energy: -60.841
bonds (distance) P-C4' energy: -56.500
flat angles C4'-P-C4' energy: -69.490
flat angles P-C4'-P energy: -45.215
tors. eta vs tors. theta energy: -82.621
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: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -907.524939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.524939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.524939 (E_RNA)
where:
Base-Base interactions energy: -623.432
where: short stacking energy: -269.291
Base-Backbone interact. energy: -0.925
local terms energy: -283.168559
where:
bonds (distance) C4'-P energy: -54.813
bonds (distance) P-C4' energy: -60.471
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -45.278
tors. eta vs tors. theta energy: -61.030
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: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -848.411084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.411084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.411084 (E_RNA)
where:
Base-Base interactions energy: -588.540
where: short stacking energy: -245.627
Base-Backbone interact. energy: -0.731
local terms energy: -259.139869
where:
bonds (distance) C4'-P energy: -47.938
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: -72.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -647.810717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.810717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.810717 (E_RNA)
where:
Base-Base interactions energy: -421.550
where: short stacking energy: -211.614
Base-Backbone interact. energy: 3.774
local terms energy: -230.034956
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -45.226
flat angles C4'-P-C4' energy: -53.600
flat angles P-C4'-P energy: -37.462
tors. eta vs tors. theta energy: -47.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -489.716829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.716829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.716829 (E_RNA)
where:
Base-Base interactions energy: -278.305
where: short stacking energy: -150.798
Base-Backbone interact. energy: 0.629
local terms energy: -212.041155
where:
bonds (distance) C4'-P energy: -38.933
bonds (distance) P-C4' energy: -59.029
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -41.413
tors. eta vs tors. theta energy: -24.053
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: 4
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -404.117748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.117748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.117748 (E_RNA)
where:
Base-Base interactions energy: -234.130
where: short stacking energy: -127.803
Base-Backbone interact. energy: 9.198
local terms energy: -179.185760
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -49.402
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -33.400
tors. eta vs tors. theta energy: -10.544
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: 3
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1179.424505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.424505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.424505 (E_RNA)
where:
Base-Base interactions energy: -851.412
where: short stacking energy: -344.576
Base-Backbone interact. energy: -2.562
local terms energy: -325.450193
where:
bonds (distance) C4'-P energy: -57.302
bonds (distance) P-C4' energy: -62.082
flat angles C4'-P-C4' energy: -68.277
flat angles P-C4'-P energy: -48.215
tors. eta vs tors. theta energy: -89.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1124.886589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.886589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.886589 (E_RNA)
where:
Base-Base interactions energy: -816.129
where: short stacking energy: -332.765
Base-Backbone interact. energy: 0.623
local terms energy: -309.380092
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -55.476
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -43.008
tors. eta vs tors. theta energy: -93.767
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: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1052.945524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.945524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.945524 (E_RNA)
where:
Base-Base interactions energy: -721.130
where: short stacking energy: -288.309
Base-Backbone interact. energy: -1.374
local terms energy: -330.441194
where:
bonds (distance) C4'-P energy: -62.062
bonds (distance) P-C4' energy: -59.083
flat angles C4'-P-C4' energy: -76.121
flat angles P-C4'-P energy: -48.592
tors. eta vs tors. theta energy: -84.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1028.293460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.293460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.293460 (E_RNA)
where:
Base-Base interactions energy: -722.131
where: short stacking energy: -310.880
Base-Backbone interact. energy: -0.869
local terms energy: -305.294011
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -61.191
flat angles C4'-P-C4' energy: -65.536
flat angles P-C4'-P energy: -40.032
tors. eta vs tors. theta energy: -84.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -951.216907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.216907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.216907 (E_RNA)
where:
Base-Base interactions energy: -643.842
where: short stacking energy: -308.268
Base-Backbone interact. energy: -0.318
local terms energy: -307.057077
where:
bonds (distance) C4'-P energy: -54.174
bonds (distance) P-C4' energy: -53.603
flat angles C4'-P-C4' energy: -66.737
flat angles P-C4'-P energy: -44.534
tors. eta vs tors. theta energy: -88.009
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: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -917.126973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.126973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.126973 (E_RNA)
where:
Base-Base interactions energy: -635.101
where: short stacking energy: -284.252
Base-Backbone interact. energy: 4.880
local terms energy: -286.905774
where:
bonds (distance) C4'-P energy: -59.476
bonds (distance) P-C4' energy: -50.028
flat angles C4'-P-C4' energy: -59.771
flat angles P-C4'-P energy: -45.130
tors. eta vs tors. theta energy: -72.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -872.374629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.374629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.374629 (E_RNA)
where:
Base-Base interactions energy: -589.792
where: short stacking energy: -253.491
Base-Backbone interact. energy: 0.609
local terms energy: -283.191579
where:
bonds (distance) C4'-P energy: -64.938
bonds (distance) P-C4' energy: -57.797
flat angles C4'-P-C4' energy: -63.746
flat angles P-C4'-P energy: -32.402
tors. eta vs tors. theta energy: -64.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -612.434356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.434356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.434356 (E_RNA)
where:
Base-Base interactions energy: -409.889
where: short stacking energy: -172.135
Base-Backbone interact. energy: 0.752
local terms energy: -203.297833
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -51.010
flat angles C4'-P-C4' energy: -53.378
flat angles P-C4'-P energy: -35.165
tors. eta vs tors. theta energy: -20.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -524.226614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.226614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.226614 (E_RNA)
where:
Base-Base interactions energy: -300.749
where: short stacking energy: -160.124
Base-Backbone interact. energy: 0.323
local terms energy: -223.800610
where:
bonds (distance) C4'-P energy: -39.063
bonds (distance) P-C4' energy: -61.417
flat angles C4'-P-C4' energy: -51.186
flat angles P-C4'-P energy: -31.372
tors. eta vs tors. theta energy: -40.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -443.061356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.061356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.061356 (E_RNA)
where:
Base-Base interactions energy: -255.909
where: short stacking energy: -122.217
Base-Backbone interact. energy: -0.492
local terms energy: -186.661228
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -43.329
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1175.027191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.027191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.027191 (E_RNA)
where:
Base-Base interactions energy: -842.913
where: short stacking energy: -346.441
Base-Backbone interact. energy: 0.393
local terms energy: -332.507667
where:
bonds (distance) C4'-P energy: -59.687
bonds (distance) P-C4' energy: -65.406
flat angles C4'-P-C4' energy: -69.236
flat angles P-C4'-P energy: -39.133
tors. eta vs tors. theta energy: -99.044
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: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1133.007474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.007474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.007474 (E_RNA)
where:
Base-Base interactions energy: -814.245
where: short stacking energy: -317.894
Base-Backbone interact. energy: -1.180
local terms energy: -317.582832
where:
bonds (distance) C4'-P energy: -64.235
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -58.671
flat angles P-C4'-P energy: -39.929
tors. eta vs tors. theta energy: -92.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1037.486480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.486480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.486480 (E_RNA)
where:
Base-Base interactions energy: -731.921
where: short stacking energy: -303.519
Base-Backbone interact. energy: -0.512
local terms energy: -305.053594
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -55.016
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -40.246
tors. eta vs tors. theta energy: -90.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1022.792080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.792080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.792080 (E_RNA)
where:
Base-Base interactions energy: -715.290
where: short stacking energy: -307.366
Base-Backbone interact. energy: 0.881
local terms energy: -308.383345
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -55.660
flat angles C4'-P-C4' energy: -67.112
flat angles P-C4'-P energy: -41.215
tors. eta vs tors. theta energy: -87.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -974.315961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.315961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.315961 (E_RNA)
where:
Base-Base interactions energy: -669.321
where: short stacking energy: -306.305
Base-Backbone interact. energy: -1.799
local terms energy: -303.195476
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -57.536
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -94.928
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: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -890.962577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.962577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.962577 (E_RNA)
where:
Base-Base interactions energy: -625.326
where: short stacking energy: -258.188
Base-Backbone interact. energy: -0.765
local terms energy: -264.871740
where:
bonds (distance) C4'-P energy: -53.813
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -48.261
flat angles P-C4'-P energy: -38.142
tors. eta vs tors. theta energy: -65.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -883.299495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.299495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.299495 (E_RNA)
where:
Base-Base interactions energy: -616.012
where: short stacking energy: -252.277
Base-Backbone interact. energy: -0.496
local terms energy: -266.791284
where:
bonds (distance) C4'-P energy: -58.817
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -55.848
flat angles P-C4'-P energy: -35.244
tors. eta vs tors. theta energy: -67.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -659.354313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.354313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.354313 (E_RNA)
where:
Base-Base interactions energy: -417.419
where: short stacking energy: -198.161
Base-Backbone interact. energy: -0.634
local terms energy: -241.300426
where:
bonds (distance) C4'-P energy: -46.949
bonds (distance) P-C4' energy: -54.874
flat angles C4'-P-C4' energy: -56.163
flat angles P-C4'-P energy: -44.075
tors. eta vs tors. theta energy: -39.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -509.130732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.130732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.130732 (E_RNA)
where:
Base-Base interactions energy: -303.045
where: short stacking energy: -155.550
Base-Backbone interact. energy: -1.340
local terms energy: -204.745514
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -53.195
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -23.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -457.665817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.665817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.665817 (E_RNA)
where:
Base-Base interactions energy: -273.995
where: short stacking energy: -134.604
Base-Backbone interact. energy: -2.056
local terms energy: -181.615028
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -54.923
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -23.138
tors. eta vs tors. theta energy: -4.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1169.580302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.580302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.580302 (E_RNA)
where:
Base-Base interactions energy: -840.116
where: short stacking energy: -345.702
Base-Backbone interact. energy: -0.225
local terms energy: -329.239281
where:
bonds (distance) C4'-P energy: -66.930
bonds (distance) P-C4' energy: -52.970
flat angles C4'-P-C4' energy: -70.548
flat angles P-C4'-P energy: -45.956
tors. eta vs tors. theta energy: -92.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1107.999226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.999226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.999226 (E_RNA)
where:
Base-Base interactions energy: -785.552
where: short stacking energy: -318.214
Base-Backbone interact. energy: -2.137
local terms energy: -320.310261
where:
bonds (distance) C4'-P energy: -59.477
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -64.530
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -94.667
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: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1027.337766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.337766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.337766 (E_RNA)
where:
Base-Base interactions energy: -739.512
where: short stacking energy: -309.261
Base-Backbone interact. energy: -0.660
local terms energy: -287.164960
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -51.363
flat angles C4'-P-C4' energy: -64.260
flat angles P-C4'-P energy: -40.823
tors. eta vs tors. theta energy: -83.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1048.699799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.699799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.699799 (E_RNA)
where:
Base-Base interactions energy: -742.149
where: short stacking energy: -304.030
Base-Backbone interact. energy: 0.013
local terms energy: -306.563707
where:
bonds (distance) C4'-P energy: -52.041
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -72.180
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -84.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -953.009644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.009644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.009644 (E_RNA)
where:
Base-Base interactions energy: -660.983
where: short stacking energy: -298.006
Base-Backbone interact. energy: -2.084
local terms energy: -289.942047
where:
bonds (distance) C4'-P energy: -50.966
bonds (distance) P-C4' energy: -62.573
flat angles C4'-P-C4' energy: -58.820
flat angles P-C4'-P energy: -35.410
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: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -929.690135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.690135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.690135 (E_RNA)
where:
Base-Base interactions energy: -631.747
where: short stacking energy: -294.653
Base-Backbone interact. energy: -0.136
local terms energy: -297.807542
where:
bonds (distance) C4'-P energy: -47.068
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -58.216
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -90.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -887.855479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.855479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.855479 (E_RNA)
where:
Base-Base interactions energy: -616.851
where: short stacking energy: -257.942
Base-Backbone interact. energy: -0.229
local terms energy: -270.775471
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -36.464
tors. eta vs tors. theta energy: -72.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -660.823401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.823401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.823401 (E_RNA)
where:
Base-Base interactions energy: -429.518
where: short stacking energy: -193.656
Base-Backbone interact. energy: 0.143
local terms energy: -231.448423
where:
bonds (distance) C4'-P energy: -45.926
bonds (distance) P-C4' energy: -46.626
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -32.108
tors. eta vs tors. theta energy: -43.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -530.363619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.363619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.363619 (E_RNA)
where:
Base-Base interactions energy: -310.119
where: short stacking energy: -181.874
Base-Backbone interact. energy: -0.417
local terms energy: -219.828131
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -31.723
tors. eta vs tors. theta energy: -39.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -410.988711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.988711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.988711 (E_RNA)
where:
Base-Base interactions energy: -230.810
where: short stacking energy: -127.257
Base-Backbone interact. energy: -2.103
local terms energy: -178.076569
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -42.957
flat angles C4'-P-C4' energy: -48.111
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -14.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1169.919920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.919920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.919920 (E_RNA)
where:
Base-Base interactions energy: -836.036
where: short stacking energy: -330.856
Base-Backbone interact. energy: -1.312
local terms energy: -332.571953
where:
bonds (distance) C4'-P energy: -66.270
bonds (distance) P-C4' energy: -61.360
flat angles C4'-P-C4' energy: -70.186
flat angles P-C4'-P energy: -42.369
tors. eta vs tors. theta energy: -92.386
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: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1103.450622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.450622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.450622 (E_RNA)
where:
Base-Base interactions energy: -796.245
where: short stacking energy: -323.834
Base-Backbone interact. energy: -2.920
local terms energy: -304.286003
where:
bonds (distance) C4'-P energy: -53.221
bonds (distance) P-C4' energy: -57.412
flat angles C4'-P-C4' energy: -59.784
flat angles P-C4'-P energy: -41.546
tors. eta vs tors. theta energy: -92.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1041.204611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.204611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.204611 (E_RNA)
where:
Base-Base interactions energy: -743.318
where: short stacking energy: -296.375
Base-Backbone interact. energy: -2.051
local terms energy: -295.835090
where:
bonds (distance) C4'-P energy: -60.825
bonds (distance) P-C4' energy: -59.253
flat angles C4'-P-C4' energy: -67.601
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -70.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -992.349748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.349748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.349748 (E_RNA)
where:
Base-Base interactions energy: -692.028
where: short stacking energy: -283.547
Base-Backbone interact. energy: -0.214
local terms energy: -300.107013
where:
bonds (distance) C4'-P energy: -49.930
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -68.141
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -82.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -965.873963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.873963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.873963 (E_RNA)
where:
Base-Base interactions energy: -669.572
where: short stacking energy: -280.374
Base-Backbone interact. energy: 0.297
local terms energy: -296.598434
where:
bonds (distance) C4'-P energy: -52.679
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -68.705
flat angles P-C4'-P energy: -39.948
tors. eta vs tors. theta energy: -80.946
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -903.405501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.405501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.405501 (E_RNA)
where:
Base-Base interactions energy: -610.927
where: short stacking energy: -262.467
Base-Backbone interact. energy: -0.405
local terms energy: -292.073480
where:
bonds (distance) C4'-P energy: -43.450
bonds (distance) P-C4' energy: -54.066
flat angles C4'-P-C4' energy: -62.767
flat angles P-C4'-P energy: -55.681
tors. eta vs tors. theta energy: -76.109
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: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -865.071277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.071277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.071277 (E_RNA)
where:
Base-Base interactions energy: -600.815
where: short stacking energy: -263.314
Base-Backbone interact. energy: -0.556
local terms energy: -263.700070
where:
bonds (distance) C4'-P energy: -46.939
bonds (distance) P-C4' energy: -48.102
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -33.476
tors. eta vs tors. theta energy: -76.860
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: 8
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -676.746735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.746735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.746735 (E_RNA)
where:
Base-Base interactions energy: -455.539
where: short stacking energy: -210.969
Base-Backbone interact. energy: 1.681
local terms energy: -222.887838
where:
bonds (distance) C4'-P energy: -36.327
bonds (distance) P-C4' energy: -44.483
flat angles C4'-P-C4' energy: -54.219
flat angles P-C4'-P energy: -35.625
tors. eta vs tors. theta energy: -52.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -464.570618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.570618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.570618 (E_RNA)
where:
Base-Base interactions energy: -261.284
where: short stacking energy: -144.032
Base-Backbone interact. energy: 1.051
local terms energy: -204.337268
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -49.619
flat angles C4'-P-C4' energy: -54.212
flat angles P-C4'-P energy: -30.951
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -409.495039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.495039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.495039 (E_RNA)
where:
Base-Base interactions energy: -239.239
where: short stacking energy: -125.215
Base-Backbone interact. energy: -0.871
local terms energy: -169.384460
where:
bonds (distance) C4'-P energy: -44.395
bonds (distance) P-C4' energy: -36.593
flat angles C4'-P-C4' energy: -53.311
flat angles P-C4'-P energy: -31.285
tors. eta vs tors. theta energy: -3.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1160.167287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.167287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.167287 (E_RNA)
where:
Base-Base interactions energy: -830.322
where: short stacking energy: -347.358
Base-Backbone interact. energy: 3.282
local terms energy: -333.127140
where:
bonds (distance) C4'-P energy: -65.787
bonds (distance) P-C4' energy: -62.395
flat angles C4'-P-C4' energy: -68.996
flat angles P-C4'-P energy: -45.699
tors. eta vs tors. theta energy: -90.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1111.479494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.479494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.479494 (E_RNA)
where:
Base-Base interactions energy: -779.187
where: short stacking energy: -319.909
Base-Backbone interact. energy: -0.527
local terms energy: -331.764911
where:
bonds (distance) C4'-P energy: -65.693
bonds (distance) P-C4' energy: -58.581
flat angles C4'-P-C4' energy: -67.901
flat angles P-C4'-P energy: -43.308
tors. eta vs tors. theta energy: -96.282
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: 395
Temperature: 1.000000
Total energy: -1052.126430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.126430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.126430 (E_RNA)
where:
Base-Base interactions energy: -756.035
where: short stacking energy: -314.705
Base-Backbone interact. energy: 3.324
local terms energy: -299.415697
where:
bonds (distance) C4'-P energy: -55.689
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -62.592
flat angles P-C4'-P energy: -45.479
tors. eta vs tors. theta energy: -80.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -978.861350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.861350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.861350 (E_RNA)
where:
Base-Base interactions energy: -684.824
where: short stacking energy: -307.043
Base-Backbone interact. energy: -1.767
local terms energy: -292.270437
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -43.620
tors. eta vs tors. theta energy: -92.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -980.606927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.606927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.606927 (E_RNA)
where:
Base-Base interactions energy: -688.212
where: short stacking energy: -283.023
Base-Backbone interact. energy: -1.283
local terms energy: -291.112097
where:
bonds (distance) C4'-P energy: -48.958
bonds (distance) P-C4' energy: -54.262
flat angles C4'-P-C4' energy: -65.988
flat angles P-C4'-P energy: -43.429
tors. eta vs tors. theta energy: -78.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -946.805925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.805925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.805925 (E_RNA)
where:
Base-Base interactions energy: -647.831
where: short stacking energy: -278.886
Base-Backbone interact. energy: -1.283
local terms energy: -297.691551
where:
bonds (distance) C4'-P energy: -48.824
bonds (distance) P-C4' energy: -61.827
flat angles C4'-P-C4' energy: -69.553
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -77.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -903.544270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.544270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.544270 (E_RNA)
where:
Base-Base interactions energy: -636.961
where: short stacking energy: -268.709
Base-Backbone interact. energy: -1.857
local terms energy: -264.725585
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -50.109
flat angles C4'-P-C4' energy: -61.128
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -68.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -668.356974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.356974 (E_RNA)
where:
Base-Base interactions energy: -452.833
where: short stacking energy: -202.809
Base-Backbone interact. energy: -1.050
local terms energy: -214.474777
where:
bonds (distance) C4'-P energy: -40.601
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -57.836
flat angles P-C4'-P energy: -36.546
tors. eta vs tors. theta energy: -34.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -450.416897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.416897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.416897 (E_RNA)
where:
Base-Base interactions energy: -230.461
where: short stacking energy: -122.965
Base-Backbone interact. energy: -0.649
local terms energy: -219.306568
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -58.552
flat angles P-C4'-P energy: -33.905
tors. eta vs tors. theta energy: -23.296
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: 4
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -393.414377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.414377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.414377 (E_RNA)
where:
Base-Base interactions energy: -223.907
where: short stacking energy: -126.960
Base-Backbone interact. energy: -0.413
local terms energy: -169.094839
where:
bonds (distance) C4'-P energy: -44.270
bonds (distance) P-C4' energy: -44.686
flat angles C4'-P-C4' energy: -53.910
flat angles P-C4'-P energy: -24.581
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1194.754711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.754711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.754711 (E_RNA)
where:
Base-Base interactions energy: -844.587
where: short stacking energy: -342.939
Base-Backbone interact. energy: 1.631
local terms energy: -351.798880
where:
bonds (distance) C4'-P energy: -65.906
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -70.043
flat angles P-C4'-P energy: -51.813
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: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1107.270428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.270428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.270428 (E_RNA)
where:
Base-Base interactions energy: -789.896
where: short stacking energy: -324.219
Base-Backbone interact. energy: 0.406
local terms energy: -317.780954
where:
bonds (distance) C4'-P energy: -52.963
bonds (distance) P-C4' energy: -60.132
flat angles C4'-P-C4' energy: -62.577
flat angles P-C4'-P energy: -46.478
tors. eta vs tors. theta energy: -95.631
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: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1055.753396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.753396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.753396 (E_RNA)
where:
Base-Base interactions energy: -753.372
where: short stacking energy: -315.746
Base-Backbone interact. energy: 0.941
local terms energy: -303.322428
where:
bonds (distance) C4'-P energy: -53.332
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -88.556
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -987.327089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.327089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.327089 (E_RNA)
where:
Base-Base interactions energy: -703.015
where: short stacking energy: -299.474
Base-Backbone interact. energy: -0.688
local terms energy: -283.623810
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -54.803
flat angles C4'-P-C4' energy: -62.700
flat angles P-C4'-P energy: -33.167
tors. eta vs tors. theta energy: -82.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -986.853696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.853696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.853696 (E_RNA)
where:
Base-Base interactions energy: -694.728
where: short stacking energy: -295.348
Base-Backbone interact. energy: -1.825
local terms energy: -290.300244
where:
bonds (distance) C4'-P energy: -53.109
bonds (distance) P-C4' energy: -57.812
flat angles C4'-P-C4' energy: -62.905
flat angles P-C4'-P energy: -37.418
tors. eta vs tors. theta energy: -79.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -888.328427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.328427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.328427 (E_RNA)
where:
Base-Base interactions energy: -634.047
where: short stacking energy: -276.648
Base-Backbone interact. energy: -1.026
local terms energy: -253.255535
where:
bonds (distance) C4'-P energy: -46.736
bonds (distance) P-C4' energy: -46.070
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -39.170
tors. eta vs tors. theta energy: -62.874
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -893.575834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.575834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.575834 (E_RNA)
where:
Base-Base interactions energy: -634.478
where: short stacking energy: -267.295
Base-Backbone interact. energy: -0.151
local terms energy: -258.947147
where:
bonds (distance) C4'-P energy: -51.664
bonds (distance) P-C4' energy: -44.458
flat angles C4'-P-C4' energy: -62.306
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -69.619
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: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -669.027802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.027802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.027802 (E_RNA)
where:
Base-Base interactions energy: -421.106
where: short stacking energy: -195.903
Base-Backbone interact. energy: 1.284
local terms energy: -249.205351
where:
bonds (distance) C4'-P energy: -52.155
bonds (distance) P-C4' energy: -54.970
flat angles C4'-P-C4' energy: -55.308
flat angles P-C4'-P energy: -44.706
tors. eta vs tors. theta energy: -42.067
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: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -477.788885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.788885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.788885 (E_RNA)
where:
Base-Base interactions energy: -267.836
where: short stacking energy: -157.073
Base-Backbone interact. energy: 0.248
local terms energy: -210.200974
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -62.768
flat angles C4'-P-C4' energy: -46.770
flat angles P-C4'-P energy: -27.277
tors. eta vs tors. theta energy: -28.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -383.767699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.767699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.767699 (E_RNA)
where:
Base-Base interactions energy: -192.521
where: short stacking energy: -102.387
Base-Backbone interact. energy: -0.218
local terms energy: -191.029010
where:
bonds (distance) C4'-P energy: -53.786
bonds (distance) P-C4' energy: -61.637
flat angles C4'-P-C4' energy: -42.341
flat angles P-C4'-P energy: -31.500
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1165.000746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.000746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.000746 (E_RNA)
where:
Base-Base interactions energy: -831.753
where: short stacking energy: -339.343
Base-Backbone interact. energy: 0.497
local terms energy: -333.744840
where:
bonds (distance) C4'-P energy: -63.288
bonds (distance) P-C4' energy: -62.545
flat angles C4'-P-C4' energy: -69.349
flat angles P-C4'-P energy: -48.010
tors. eta vs tors. theta energy: -90.552
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: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1117.542770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.542770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.542770 (E_RNA)
where:
Base-Base interactions energy: -783.846
where: short stacking energy: -319.538
Base-Backbone interact. energy: -1.711
local terms energy: -331.985900
where:
bonds (distance) C4'-P energy: -65.190
bonds (distance) P-C4' energy: -64.404
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -44.160
tors. eta vs tors. theta energy: -91.461
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: 1
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1054.382378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.382378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.382378 (E_RNA)
where:
Base-Base interactions energy: -755.472
where: short stacking energy: -316.169
Base-Backbone interact. energy: 0.487
local terms energy: -299.396520
where:
bonds (distance) C4'-P energy: -56.765
bonds (distance) P-C4' energy: -59.340
flat angles C4'-P-C4' energy: -52.923
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -82.749
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: 5
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -981.024517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.024517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.024517 (E_RNA)
where:
Base-Base interactions energy: -682.189
where: short stacking energy: -302.656
Base-Backbone interact. energy: -1.528
local terms energy: -297.307623
where:
bonds (distance) C4'-P energy: -52.658
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -62.177
flat angles P-C4'-P energy: -35.494
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: 397
Temperature: 1.100000
Total energy: -982.125676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.125676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.125676 (E_RNA)
where:
Base-Base interactions energy: -681.958
where: short stacking energy: -288.813
Base-Backbone interact. energy: -1.718
local terms energy: -298.450561
where:
bonds (distance) C4'-P energy: -62.113
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -61.632
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -78.303
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: 9
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -890.682012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.682012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.682012 (E_RNA)
where:
Base-Base interactions energy: -637.271
where: short stacking energy: -269.251
Base-Backbone interact. energy: -0.844
local terms energy: -252.567574
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -58.113
flat angles P-C4'-P energy: -31.470
tors. eta vs tors. theta energy: -60.304
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: 10
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -888.019683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.019683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.019683 (E_RNA)
where:
Base-Base interactions energy: -598.256
where: short stacking energy: -255.902
Base-Backbone interact. energy: -1.014
local terms energy: -288.749564
where:
bonds (distance) C4'-P energy: -54.812
bonds (distance) P-C4' energy: -51.579
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -44.587
tors. eta vs tors. theta energy: -75.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -653.815887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.815887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.815887 (E_RNA)
where:
Base-Base interactions energy: -424.326
where: short stacking energy: -201.620
Base-Backbone interact. energy: -0.649
local terms energy: -228.840576
where:
bonds (distance) C4'-P energy: -41.801
bonds (distance) P-C4' energy: -60.138
flat angles C4'-P-C4' energy: -42.781
flat angles P-C4'-P energy: -43.695
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -477.261577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.261577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.261577 (E_RNA)
where:
Base-Base interactions energy: -261.679
where: short stacking energy: -157.688
Base-Backbone interact. energy: 3.123
local terms energy: -218.706129
where:
bonds (distance) C4'-P energy: -53.301
bonds (distance) P-C4' energy: -54.832
flat angles C4'-P-C4' energy: -48.349
flat angles P-C4'-P energy: -34.987
tors. eta vs tors. theta energy: -27.238
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: 4
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -430.996366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.996366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.996366 (E_RNA)
where:
Base-Base interactions energy: -234.505
where: short stacking energy: -118.041
Base-Backbone interact. energy: -1.572
local terms energy: -194.919678
where:
bonds (distance) C4'-P energy: -54.309
bonds (distance) P-C4' energy: -50.417
flat angles C4'-P-C4' energy: -58.999
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1163.698480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.698480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.698480 (E_RNA)
where:
Base-Base interactions energy: -822.239
where: short stacking energy: -339.808
Base-Backbone interact. energy: 0.367
local terms energy: -341.825838
where:
bonds (distance) C4'-P energy: -57.809
bonds (distance) P-C4' energy: -71.817
flat angles C4'-P-C4' energy: -67.117
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -95.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1090.711619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.711619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.711619 (E_RNA)
where:
Base-Base interactions energy: -774.956
where: short stacking energy: -332.148
Base-Backbone interact. energy: -1.424
local terms energy: -314.332060
where:
bonds (distance) C4'-P energy: -58.558
bonds (distance) P-C4' energy: -64.040
flat angles C4'-P-C4' energy: -64.762
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -88.662
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: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1037.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.209449 (E_RNA)
where:
Base-Base interactions energy: -721.279
where: short stacking energy: -310.023
Base-Backbone interact. energy: -0.832
local terms energy: -315.098921
where:
bonds (distance) C4'-P energy: -70.553
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -69.977
flat angles P-C4'-P energy: -38.510
tors. eta vs tors. theta energy: -82.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -993.542287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.542287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.542287 (E_RNA)
where:
Base-Base interactions energy: -684.347
where: short stacking energy: -292.895
Base-Backbone interact. energy: -0.220
local terms energy: -308.975687
where:
bonds (distance) C4'-P energy: -68.148
bonds (distance) P-C4' energy: -51.853
flat angles C4'-P-C4' energy: -63.624
flat angles P-C4'-P energy: -36.669
tors. eta vs tors. theta energy: -88.681
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: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -983.916815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.916815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.916815 (E_RNA)
where:
Base-Base interactions energy: -694.879
where: short stacking energy: -289.649
Base-Backbone interact. energy: -0.564
local terms energy: -288.473922
where:
bonds (distance) C4'-P energy: -49.889
bonds (distance) P-C4' energy: -52.944
flat angles C4'-P-C4' energy: -61.329
flat angles P-C4'-P energy: -35.757
tors. eta vs tors. theta energy: -88.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -875.399551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.399551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.399551 (E_RNA)
where:
Base-Base interactions energy: -583.682
where: short stacking energy: -260.577
Base-Backbone interact. energy: -0.725
local terms energy: -290.992831
where:
bonds (distance) C4'-P energy: -52.767
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -64.974
flat angles P-C4'-P energy: -42.722
tors. eta vs tors. theta energy: -71.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -882.650166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.650166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.650166 (E_RNA)
where:
Base-Base interactions energy: -600.075
where: short stacking energy: -258.772
Base-Backbone interact. energy: -0.085
local terms energy: -282.490138
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -54.250
flat angles C4'-P-C4' energy: -66.704
flat angles P-C4'-P energy: -40.818
tors. eta vs tors. theta energy: -74.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -651.361099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.361099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.361099 (E_RNA)
where:
Base-Base interactions energy: -435.858
where: short stacking energy: -211.056
Base-Backbone interact. energy: 0.862
local terms energy: -216.364783
where:
bonds (distance) C4'-P energy: -44.342
bonds (distance) P-C4' energy: -51.560
flat angles C4'-P-C4' energy: -61.279
flat angles P-C4'-P energy: -25.631
tors. eta vs tors. theta energy: -33.552
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: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -472.462466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.462466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.462466 (E_RNA)
where:
Base-Base interactions energy: -290.172
where: short stacking energy: -152.804
Base-Backbone interact. energy: 1.325
local terms energy: -183.614881
where:
bonds (distance) C4'-P energy: -39.926
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -44.389
flat angles P-C4'-P energy: -29.893
tors. eta vs tors. theta energy: -18.979
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: 4
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -438.287381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.287381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.287381 (E_RNA)
where:
Base-Base interactions energy: -245.599
where: short stacking energy: -137.802
Base-Backbone interact. energy: -1.899
local terms energy: -190.789674
where:
bonds (distance) C4'-P energy: -47.442
bonds (distance) P-C4' energy: -49.548
flat angles C4'-P-C4' energy: -48.981
flat angles P-C4'-P energy: -21.154
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1170.870926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.870926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.870926 (E_RNA)
where:
Base-Base interactions energy: -846.807
where: short stacking energy: -349.322
Base-Backbone interact. energy: -0.826
local terms energy: -323.238282
where:
bonds (distance) C4'-P energy: -60.235
bonds (distance) P-C4' energy: -64.604
flat angles C4'-P-C4' energy: -63.494
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -89.752
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: 6
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1077.620052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.620052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.620052 (E_RNA)
where:
Base-Base interactions energy: -750.749
where: short stacking energy: -313.930
Base-Backbone interact. energy: -0.900
local terms energy: -325.971534
where:
bonds (distance) C4'-P energy: -55.999
bonds (distance) P-C4' energy: -61.166
flat angles C4'-P-C4' energy: -73.274
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -92.658
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: 3, replica: 1
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1045.113588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.113588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.113588 (E_RNA)
where:
Base-Base interactions energy: -725.809
where: short stacking energy: -309.233
Base-Backbone interact. energy: -2.388
local terms energy: -316.917517
where:
bonds (distance) C4'-P energy: -53.886
bonds (distance) P-C4' energy: -61.189
flat angles C4'-P-C4' energy: -67.367
flat angles P-C4'-P energy: -49.428
tors. eta vs tors. theta energy: -85.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -985.124696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.124696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.124696 (E_RNA)
where:
Base-Base interactions energy: -677.668
where: short stacking energy: -306.037
Base-Backbone interact. energy: -0.313
local terms energy: -307.143643
where:
bonds (distance) C4'-P energy: -56.626
bonds (distance) P-C4' energy: -56.097
flat angles C4'-P-C4' energy: -61.893
flat angles P-C4'-P energy: -46.754
tors. eta vs tors. theta energy: -85.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -999.862489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.862489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.862489 (E_RNA)
where:
Base-Base interactions energy: -707.394
where: short stacking energy: -289.703
Base-Backbone interact. energy: -0.312
local terms energy: -292.156481
where:
bonds (distance) C4'-P energy: -57.031
bonds (distance) P-C4' energy: -56.206
flat angles C4'-P-C4' energy: -58.384
flat angles P-C4'-P energy: -44.049
tors. eta vs tors. theta energy: -76.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -906.332236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.332236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.332236 (E_RNA)
where:
Base-Base interactions energy: -626.309
where: short stacking energy: -275.425
Base-Backbone interact. energy: -0.770
local terms energy: -279.252818
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -72.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -842.763684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.763684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.763684 (E_RNA)
where:
Base-Base interactions energy: -558.767
where: short stacking energy: -261.471
Base-Backbone interact. energy: -1.143
local terms energy: -282.853170
where:
bonds (distance) C4'-P energy: -52.150
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -54.362
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -79.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -677.488196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.488196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.488196 (E_RNA)
where:
Base-Base interactions energy: -443.258
where: short stacking energy: -201.421
Base-Backbone interact. energy: 4.946
local terms energy: -239.175439
where:
bonds (distance) C4'-P energy: -57.392
bonds (distance) P-C4' energy: -55.966
flat angles C4'-P-C4' energy: -55.014
flat angles P-C4'-P energy: -32.973
tors. eta vs tors. theta energy: -37.831
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: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -448.176270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.176270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.176270 (E_RNA)
where:
Base-Base interactions energy: -240.920
where: short stacking energy: -143.605
Base-Backbone interact. energy: -0.838
local terms energy: -206.418223
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -42.206
flat angles C4'-P-C4' energy: -52.421
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -425.307182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.307182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.307182 (E_RNA)
where:
Base-Base interactions energy: -229.906
where: short stacking energy: -124.147
Base-Backbone interact. energy: 0.261
local terms energy: -195.662771
where:
bonds (distance) C4'-P energy: -45.193
bonds (distance) P-C4' energy: -54.936
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -29.183
tors. eta vs tors. theta energy: -6.658
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: 400
Temperature: 0.900000
Total energy: -1166.066928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.066928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.066928 (E_RNA)
where:
Base-Base interactions energy: -839.079
where: short stacking energy: -347.038
Base-Backbone interact. energy: -1.627
local terms energy: -325.361419
where:
bonds (distance) C4'-P energy: -64.515
bonds (distance) P-C4' energy: -46.970
flat angles C4'-P-C4' energy: -72.558
flat angles P-C4'-P energy: -46.513
tors. eta vs tors. theta energy: -94.805
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: 6
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1107.746774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.746774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.746774 (E_RNA)
where:
Base-Base interactions energy: -780.439
where: short stacking energy: -332.806
Base-Backbone interact. energy: -1.263
local terms energy: -326.044395
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -58.341
flat angles C4'-P-C4' energy: -68.688
flat angles P-C4'-P energy: -42.899
tors. eta vs tors. theta energy: -96.416
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: 1
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1017.912870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.912870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.912870 (E_RNA)
where:
Base-Base interactions energy: -703.254
where: short stacking energy: -306.362
Base-Backbone interact. energy: -0.401
local terms energy: -314.257640
where:
bonds (distance) C4'-P energy: -61.597
bonds (distance) P-C4' energy: -57.035
flat angles C4'-P-C4' energy: -58.364
flat angles P-C4'-P energy: -49.110
tors. eta vs tors. theta energy: -88.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -975.345032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.345032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.345032 (E_RNA)
where:
Base-Base interactions energy: -659.797
where: short stacking energy: -289.741
Base-Backbone interact. energy: -0.610
local terms energy: -314.938415
where:
bonds (distance) C4'-P energy: -63.311
bonds (distance) P-C4' energy: -61.216
flat angles C4'-P-C4' energy: -64.778
flat angles P-C4'-P energy: -39.185
tors. eta vs tors. theta energy: -86.448
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: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -936.661123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.661123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.661123 (E_RNA)
where:
Base-Base interactions energy: -669.027
where: short stacking energy: -286.424
Base-Backbone interact. energy: 1.387
local terms energy: -269.020790
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -44.654
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -36.634
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: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -967.010395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.010395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.010395 (E_RNA)
where:
Base-Base interactions energy: -676.737
where: short stacking energy: -301.346
Base-Backbone interact. energy: -0.861
local terms energy: -289.412589
where:
bonds (distance) C4'-P energy: -49.296
bonds (distance) P-C4' energy: -57.355
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -35.362
tors. eta vs tors. theta energy: -86.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -875.167204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.167204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.167204 (E_RNA)
where:
Base-Base interactions energy: -609.351
where: short stacking energy: -254.296
Base-Backbone interact. energy: 2.004
local terms energy: -267.820300
where:
bonds (distance) C4'-P energy: -42.760
bonds (distance) P-C4' energy: -60.402
flat angles C4'-P-C4' energy: -62.689
flat angles P-C4'-P energy: -38.725
tors. eta vs tors. theta energy: -63.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -658.049144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.049144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.049144 (E_RNA)
where:
Base-Base interactions energy: -428.390
where: short stacking energy: -193.118
Base-Backbone interact. energy: -1.892
local terms energy: -227.767111
where:
bonds (distance) C4'-P energy: -56.034
bonds (distance) P-C4' energy: -48.255
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -41.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -451.852092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.852092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.852092 (E_RNA)
where:
Base-Base interactions energy: -244.737
where: short stacking energy: -126.487
Base-Backbone interact. energy: 0.129
local terms energy: -207.243983
where:
bonds (distance) C4'-P energy: -59.767
bonds (distance) P-C4' energy: -50.803
flat angles C4'-P-C4' energy: -49.326
flat angles P-C4'-P energy: -28.905
tors. eta vs tors. theta energy: -18.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -425.244805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.244805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.244805 (E_RNA)
where:
Base-Base interactions energy: -239.697
where: short stacking energy: -118.638
Base-Backbone interact. energy: 0.702
local terms energy: -186.249858
where:
bonds (distance) C4'-P energy: -50.062
bonds (distance) P-C4' energy: -62.562
flat angles C4'-P-C4' energy: -42.686
flat angles P-C4'-P energy: -27.075
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1155.999954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.999954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.999954 (E_RNA)
where:
Base-Base interactions energy: -843.721
where: short stacking energy: -346.607
Base-Backbone interact. energy: -1.452
local terms energy: -310.827362
where:
bonds (distance) C4'-P energy: -61.876
bonds (distance) P-C4' energy: -43.803
flat angles C4'-P-C4' energy: -67.111
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -88.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1107.301492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.301492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.301492 (E_RNA)
where:
Base-Base interactions energy: -803.674
where: short stacking energy: -322.140
Base-Backbone interact. energy: -2.527
local terms energy: -301.100817
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -65.437
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -90.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1021.363010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.363010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.363010 (E_RNA)
where:
Base-Base interactions energy: -713.398
where: short stacking energy: -302.307
Base-Backbone interact. energy: -1.132
local terms energy: -306.833187
where:
bonds (distance) C4'-P energy: -53.047
bonds (distance) P-C4' energy: -66.972
flat angles C4'-P-C4' energy: -57.173
flat angles P-C4'-P energy: -45.413
tors. eta vs tors. theta energy: -84.228
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: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -947.714604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.714604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.714604 (E_RNA)
where:
Base-Base interactions energy: -653.009
where: short stacking energy: -273.617
Base-Backbone interact. energy: -0.484
local terms energy: -294.221577
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -64.757
flat angles P-C4'-P energy: -46.135
tors. eta vs tors. theta energy: -74.081
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: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -939.291032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.291032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.291032 (E_RNA)
where:
Base-Base interactions energy: -638.087
where: short stacking energy: -288.008
Base-Backbone interact. energy: -0.464
local terms energy: -300.740530
where:
bonds (distance) C4'-P energy: -60.974
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -40.828
tors. eta vs tors. theta energy: -80.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -938.969562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.969562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.969562 (E_RNA)
where:
Base-Base interactions energy: -657.380
where: short stacking energy: -282.794
Base-Backbone interact. energy: -2.198
local terms energy: -279.391292
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -54.544
flat angles C4'-P-C4' energy: -63.734
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -74.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -902.727446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.727446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.727446 (E_RNA)
where:
Base-Base interactions energy: -616.981
where: short stacking energy: -268.070
Base-Backbone interact. energy: -1.149
local terms energy: -284.598297
where:
bonds (distance) C4'-P energy: -59.128
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -59.658
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -69.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -661.716170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.716170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.716170 (E_RNA)
where:
Base-Base interactions energy: -420.779
where: short stacking energy: -191.463
Base-Backbone interact. energy: -2.381
local terms energy: -238.556666
where:
bonds (distance) C4'-P energy: -51.145
bonds (distance) P-C4' energy: -49.923
flat angles C4'-P-C4' energy: -53.476
flat angles P-C4'-P energy: -45.599
tors. eta vs tors. theta energy: -38.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -454.955719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.955719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.955719 (E_RNA)
where:
Base-Base interactions energy: -271.991
where: short stacking energy: -144.614
Base-Backbone interact. energy: 0.431
local terms energy: -183.396143
where:
bonds (distance) C4'-P energy: -50.931
bonds (distance) P-C4' energy: -60.266
flat angles C4'-P-C4' energy: -32.669
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -406.889874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.889874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.889874 (E_RNA)
where:
Base-Base interactions energy: -227.289
where: short stacking energy: -110.172
Base-Backbone interact. energy: -1.824
local terms energy: -177.777294
where:
bonds (distance) C4'-P energy: -41.706
bonds (distance) P-C4' energy: -51.827
flat angles C4'-P-C4' energy: -50.401
flat angles P-C4'-P energy: -38.572
tors. eta vs tors. theta energy: 4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1157.926180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.926180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.926180 (E_RNA)
where:
Base-Base interactions energy: -835.775
where: short stacking energy: -345.317
Base-Backbone interact. energy: -0.319
local terms energy: -321.832256
where:
bonds (distance) C4'-P energy: -68.631
bonds (distance) P-C4' energy: -59.668
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -39.623
tors. eta vs tors. theta energy: -92.216
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: 6
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1117.582526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.582526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.582526 (E_RNA)
where:
Base-Base interactions energy: -788.687
where: short stacking energy: -336.253
Base-Backbone interact. energy: -1.099
local terms energy: -327.796407
where:
bonds (distance) C4'-P energy: -60.521
bonds (distance) P-C4' energy: -60.816
flat angles C4'-P-C4' energy: -67.239
flat angles P-C4'-P energy: -37.013
tors. eta vs tors. theta energy: -102.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1041.432064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.432064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.432064 (E_RNA)
where:
Base-Base interactions energy: -722.029
where: short stacking energy: -313.059
Base-Backbone interact. energy: 1.708
local terms energy: -321.111523
where:
bonds (distance) C4'-P energy: -65.143
bonds (distance) P-C4' energy: -52.651
flat angles C4'-P-C4' energy: -66.165
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -90.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1001.440501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.440501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.440501 (E_RNA)
where:
Base-Base interactions energy: -696.537
where: short stacking energy: -299.718
Base-Backbone interact. energy: 1.210
local terms energy: -306.113351
where:
bonds (distance) C4'-P energy: -57.142
bonds (distance) P-C4' energy: -61.065
flat angles C4'-P-C4' energy: -63.552
flat angles P-C4'-P energy: -40.009
tors. eta vs tors. theta energy: -84.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -979.260274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.260274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.260274 (E_RNA)
where:
Base-Base interactions energy: -678.415
where: short stacking energy: -296.483
Base-Backbone interact. energy: -0.317
local terms energy: -300.528498
where:
bonds (distance) C4'-P energy: -55.282
bonds (distance) P-C4' energy: -56.478
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -39.024
tors. eta vs tors. theta energy: -83.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -924.331946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.331946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.331946 (E_RNA)
where:
Base-Base interactions energy: -646.398
where: short stacking energy: -282.220
Base-Backbone interact. energy: -2.151
local terms energy: -275.782589
where:
bonds (distance) C4'-P energy: -45.426
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -61.473
flat angles P-C4'-P energy: -38.854
tors. eta vs tors. theta energy: -76.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -906.550214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.550214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.550214 (E_RNA)
where:
Base-Base interactions energy: -642.703
where: short stacking energy: -269.133
Base-Backbone interact. energy: -0.409
local terms energy: -263.438319
where:
bonds (distance) C4'-P energy: -43.225
bonds (distance) P-C4' energy: -48.631
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -41.422
tors. eta vs tors. theta energy: -71.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -655.572684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.572684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.572684 (E_RNA)
where:
Base-Base interactions energy: -428.591
where: short stacking energy: -192.002
Base-Backbone interact. energy: -2.251
local terms energy: -224.729999
where:
bonds (distance) C4'-P energy: -37.785
bonds (distance) P-C4' energy: -65.497
flat angles C4'-P-C4' energy: -55.479
flat angles P-C4'-P energy: -22.927
tors. eta vs tors. theta energy: -43.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -439.739482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.739482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.739482 (E_RNA)
where:
Base-Base interactions energy: -233.960
where: short stacking energy: -127.885
Base-Backbone interact. energy: -0.889
local terms energy: -204.890370
where:
bonds (distance) C4'-P energy: -45.255
bonds (distance) P-C4' energy: -60.939
flat angles C4'-P-C4' energy: -42.782
flat angles P-C4'-P energy: -39.617
tors. eta vs tors. theta energy: -16.298
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: 4
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -444.551866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.551866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.551866 (E_RNA)
where:
Base-Base interactions energy: -266.147
where: short stacking energy: -114.175
Base-Backbone interact. energy: -0.505
local terms energy: -177.899632
where:
bonds (distance) C4'-P energy: -43.150
bonds (distance) P-C4' energy: -49.861
flat angles C4'-P-C4' energy: -58.411
flat angles P-C4'-P energy: -16.153
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1171.347981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.347981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.347981 (E_RNA)
where:
Base-Base interactions energy: -848.228
where: short stacking energy: -339.691
Base-Backbone interact. energy: -1.041
local terms energy: -322.078453
where:
bonds (distance) C4'-P energy: -54.202
bonds (distance) P-C4' energy: -62.393
flat angles C4'-P-C4' energy: -69.874
flat angles P-C4'-P energy: -42.578
tors. eta vs tors. theta energy: -93.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1096.897689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.897689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.897689 (E_RNA)
where:
Base-Base interactions energy: -765.218
where: short stacking energy: -320.864
Base-Backbone interact. energy: -0.242
local terms energy: -331.437729
where:
bonds (distance) C4'-P energy: -60.095
bonds (distance) P-C4' energy: -65.630
flat angles C4'-P-C4' energy: -64.693
flat angles P-C4'-P energy: -41.012
tors. eta vs tors. theta energy: -100.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1070.473199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.473199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.473199 (E_RNA)
where:
Base-Base interactions energy: -742.033
where: short stacking energy: -334.091
Base-Backbone interact. energy: -0.206
local terms energy: -328.234237
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -62.556
flat angles C4'-P-C4' energy: -68.441
flat angles P-C4'-P energy: -42.988
tors. eta vs tors. theta energy: -96.412
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -995.449844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.449844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.449844 (E_RNA)
where:
Base-Base interactions energy: -695.799
where: short stacking energy: -300.665
Base-Backbone interact. energy: -0.423
local terms energy: -299.227514
where:
bonds (distance) C4'-P energy: -55.657
bonds (distance) P-C4' energy: -54.321
flat angles C4'-P-C4' energy: -67.142
flat angles P-C4'-P energy: -42.645
tors. eta vs tors. theta energy: -79.463
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: 5, replica: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -963.699558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.699558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.699558 (E_RNA)
where:
Base-Base interactions energy: -650.646
where: short stacking energy: -280.713
Base-Backbone interact. energy: -2.733
local terms energy: -310.320496
where:
bonds (distance) C4'-P energy: -58.048
bonds (distance) P-C4' energy: -47.990
flat angles C4'-P-C4' energy: -77.290
flat angles P-C4'-P energy: -43.435
tors. eta vs tors. theta energy: -83.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -926.787419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.787419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.787419 (E_RNA)
where:
Base-Base interactions energy: -625.657
where: short stacking energy: -255.635
Base-Backbone interact. energy: -1.062
local terms energy: -300.068332
where:
bonds (distance) C4'-P energy: -53.718
bonds (distance) P-C4' energy: -56.951
flat angles C4'-P-C4' energy: -60.153
flat angles P-C4'-P energy: -46.262
tors. eta vs tors. theta energy: -82.984
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: 2
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -892.963512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.963512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.963512 (E_RNA)
where:
Base-Base interactions energy: -652.214
where: short stacking energy: -250.040
Base-Backbone interact. energy: -1.500
local terms energy: -239.249039
where:
bonds (distance) C4'-P energy: -45.527
bonds (distance) P-C4' energy: -50.019
flat angles C4'-P-C4' energy: -50.869
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: -48.780
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: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -712.001765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.001765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.001765 (E_RNA)
where:
Base-Base interactions energy: -459.851
where: short stacking energy: -214.301
Base-Backbone interact. energy: -1.280
local terms energy: -250.871202
where:
bonds (distance) C4'-P energy: -50.212
bonds (distance) P-C4' energy: -55.807
flat angles C4'-P-C4' energy: -54.860
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -54.203
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: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -444.258958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.258958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.258958 (E_RNA)
where:
Base-Base interactions energy: -250.363
where: short stacking energy: -141.347
Base-Backbone interact. energy: 1.772
local terms energy: -195.667632
where:
bonds (distance) C4'-P energy: -53.730
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -51.585
flat angles P-C4'-P energy: -32.654
tors. eta vs tors. theta energy: -15.211
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: 10, replica: 4
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -433.543430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.543430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.543430 (E_RNA)
where:
Base-Base interactions energy: -245.535
where: short stacking energy: -123.255
Base-Backbone interact. energy: -0.681
local terms energy: -187.326783
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -52.514
flat angles C4'-P-C4' energy: -46.927
flat angles P-C4'-P energy: -33.777
tors. eta vs tors. theta energy: -10.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1142.259374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.259374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.259374 (E_RNA)
where:
Base-Base interactions energy: -814.428
where: short stacking energy: -327.137
Base-Backbone interact. energy: -1.073
local terms energy: -326.757520
where:
bonds (distance) C4'-P energy: -62.762
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -68.187
flat angles P-C4'-P energy: -52.109
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: 2, replica: 6
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1126.442614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.442614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.442614 (E_RNA)
where:
Base-Base interactions energy: -793.436
where: short stacking energy: -332.932
Base-Backbone interact. energy: -1.618
local terms energy: -331.388232
where:
bonds (distance) C4'-P energy: -58.690
bonds (distance) P-C4' energy: -62.252
flat angles C4'-P-C4' energy: -67.679
flat angles P-C4'-P energy: -45.169
tors. eta vs tors. theta energy: -97.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1061.013952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.013952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.013952 (E_RNA)
where:
Base-Base interactions energy: -736.870
where: short stacking energy: -318.556
Base-Backbone interact. energy: -0.175
local terms energy: -323.968826
where:
bonds (distance) C4'-P energy: -61.723
bonds (distance) P-C4' energy: -58.762
flat angles C4'-P-C4' energy: -64.785
flat angles P-C4'-P energy: -43.047
tors. eta vs tors. theta energy: -95.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1000.643210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.643210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.643210 (E_RNA)
where:
Base-Base interactions energy: -726.873
where: short stacking energy: -312.158
Base-Backbone interact. energy: -0.281
local terms energy: -273.489410
where:
bonds (distance) C4'-P energy: -43.703
bonds (distance) P-C4' energy: -46.598
flat angles C4'-P-C4' energy: -67.369
flat angles P-C4'-P energy: -36.555
tors. eta vs tors. theta energy: -79.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -948.399702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.399702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.399702 (E_RNA)
where:
Base-Base interactions energy: -685.400
where: short stacking energy: -304.218
Base-Backbone interact. energy: -1.710
local terms energy: -261.290139
where:
bonds (distance) C4'-P energy: -48.931
bonds (distance) P-C4' energy: -52.117
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -70.779
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: 9
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -926.598244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.598244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.598244 (E_RNA)
where:
Base-Base interactions energy: -655.144
where: short stacking energy: -275.705
Base-Backbone interact. energy: -0.919
local terms energy: -270.535048
where:
bonds (distance) C4'-P energy: -45.313
bonds (distance) P-C4' energy: -51.296
flat angles C4'-P-C4' energy: -57.534
flat angles P-C4'-P energy: -32.910
tors. eta vs tors. theta energy: -83.481
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: 7, replica: 2
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -894.270751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.270751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.270751 (E_RNA)
where:
Base-Base interactions energy: -615.805
where: short stacking energy: -252.156
Base-Backbone interact. energy: -0.666
local terms energy: -277.799616
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -50.363
flat angles C4'-P-C4' energy: -64.407
flat angles P-C4'-P energy: -34.320
tors. eta vs tors. theta energy: -71.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -672.449919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.449919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.449919 (E_RNA)
where:
Base-Base interactions energy: -427.333
where: short stacking energy: -197.154
Base-Backbone interact. energy: -1.533
local terms energy: -243.584014
where:
bonds (distance) C4'-P energy: -57.936
bonds (distance) P-C4' energy: -58.190
flat angles C4'-P-C4' energy: -50.823
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -43.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -524.446961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.446961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.446961 (E_RNA)
where:
Base-Base interactions energy: -296.528
where: short stacking energy: -155.976
Base-Backbone interact. energy: -2.339
local terms energy: -225.579598
where:
bonds (distance) C4'-P energy: -45.294
bonds (distance) P-C4' energy: -64.554
flat angles C4'-P-C4' energy: -50.731
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -25.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -465.091893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.091893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.091893 (E_RNA)
where:
Base-Base interactions energy: -276.303
where: short stacking energy: -150.655
Base-Backbone interact. energy: -0.988
local terms energy: -187.800927
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -48.576
flat angles C4'-P-C4' energy: -44.884
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -22.021
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: 405
Temperature: 0.900000
Total energy: -1160.014727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.014727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.014727 (E_RNA)
where:
Base-Base interactions energy: -842.933
where: short stacking energy: -331.974
Base-Backbone interact. energy: -1.827
local terms energy: -315.254700
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -66.336
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -85.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1110.126621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.126621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.126621 (E_RNA)
where:
Base-Base interactions energy: -774.736
where: short stacking energy: -324.081
Base-Backbone interact. energy: -1.589
local terms energy: -333.801643
where:
bonds (distance) C4'-P energy: -55.764
bonds (distance) P-C4' energy: -66.396
flat angles C4'-P-C4' energy: -71.058
flat angles P-C4'-P energy: -47.034
tors. eta vs tors. theta energy: -93.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1054.869597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.869597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.869597 (E_RNA)
where:
Base-Base interactions energy: -749.575
where: short stacking energy: -315.935
Base-Backbone interact. energy: -1.849
local terms energy: -303.445543
where:
bonds (distance) C4'-P energy: -57.954
bonds (distance) P-C4' energy: -52.569
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -39.484
tors. eta vs tors. theta energy: -91.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -991.406442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.406442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.406442 (E_RNA)
where:
Base-Base interactions energy: -703.387
where: short stacking energy: -305.304
Base-Backbone interact. energy: -0.362
local terms energy: -287.657578
where:
bonds (distance) C4'-P energy: -52.700
bonds (distance) P-C4' energy: -52.985
flat angles C4'-P-C4' energy: -62.341
flat angles P-C4'-P energy: -40.905
tors. eta vs tors. theta energy: -78.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -946.770296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.770296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.770296 (E_RNA)
where:
Base-Base interactions energy: -663.763
where: short stacking energy: -294.822
Base-Backbone interact. energy: -0.022
local terms energy: -282.985647
where:
bonds (distance) C4'-P energy: -57.506
bonds (distance) P-C4' energy: -49.243
flat angles C4'-P-C4' energy: -62.851
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -86.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -960.254364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.254364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.254364 (E_RNA)
where:
Base-Base interactions energy: -681.819
where: short stacking energy: -289.894
Base-Backbone interact. energy: -1.067
local terms energy: -277.368521
where:
bonds (distance) C4'-P energy: -48.799
bonds (distance) P-C4' energy: -38.600
flat angles C4'-P-C4' energy: -67.372
flat angles P-C4'-P energy: -47.462
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: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -869.499491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.499491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.499491 (E_RNA)
where:
Base-Base interactions energy: -616.903
where: short stacking energy: -256.395
Base-Backbone interact. energy: 1.625
local terms energy: -254.221310
where:
bonds (distance) C4'-P energy: -46.162
bonds (distance) P-C4' energy: -54.485
flat angles C4'-P-C4' energy: -63.268
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -61.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -655.588215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.588215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.588215 (E_RNA)
where:
Base-Base interactions energy: -415.780
where: short stacking energy: -198.993
Base-Backbone interact. energy: -1.075
local terms energy: -238.733099
where:
bonds (distance) C4'-P energy: -59.349
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -56.479
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -35.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -499.536565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.536565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.536565 (E_RNA)
where:
Base-Base interactions energy: -314.960
where: short stacking energy: -167.628
Base-Backbone interact. energy: -0.209
local terms energy: -184.367217
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -50.279
flat angles C4'-P-C4' energy: -45.104
flat angles P-C4'-P energy: -20.022
tors. eta vs tors. theta energy: -20.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -477.049980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.049980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.049980 (E_RNA)
where:
Base-Base interactions energy: -256.970
where: short stacking energy: -141.576
Base-Backbone interact. energy: -0.861
local terms energy: -219.218450
where:
bonds (distance) C4'-P energy: -45.382
bonds (distance) P-C4' energy: -59.396
flat angles C4'-P-C4' energy: -57.242
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -24.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1164.957131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.957131 (E_RNA)
where:
Base-Base interactions energy: -835.032
where: short stacking energy: -330.644
Base-Backbone interact. energy: -1.324
local terms energy: -328.601416
where:
bonds (distance) C4'-P energy: -66.749
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -46.461
tors. eta vs tors. theta energy: -85.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1096.555978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.555978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.555978 (E_RNA)
where:
Base-Base interactions energy: -770.996
where: short stacking energy: -318.764
Base-Backbone interact. energy: -1.032
local terms energy: -324.528012
where:
bonds (distance) C4'-P energy: -55.292
bonds (distance) P-C4' energy: -64.409
flat angles C4'-P-C4' energy: -66.344
flat angles P-C4'-P energy: -45.560
tors. eta vs tors. theta energy: -92.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1049.811903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.811903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.811903 (E_RNA)
where:
Base-Base interactions energy: -733.211
where: short stacking energy: -324.933
Base-Backbone interact. energy: -0.507
local terms energy: -316.093855
where:
bonds (distance) C4'-P energy: -58.169
bonds (distance) P-C4' energy: -48.954
flat angles C4'-P-C4' energy: -73.424
flat angles P-C4'-P energy: -40.715
tors. eta vs tors. theta energy: -94.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -988.790321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.790321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.790321 (E_RNA)
where:
Base-Base interactions energy: -694.386
where: short stacking energy: -296.394
Base-Backbone interact. energy: -0.014
local terms energy: -294.391105
where:
bonds (distance) C4'-P energy: -60.495
bonds (distance) P-C4' energy: -49.148
flat angles C4'-P-C4' energy: -62.159
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -80.725
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: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -998.304921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.304921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.304921 (E_RNA)
where:
Base-Base interactions energy: -712.612
where: short stacking energy: -294.122
Base-Backbone interact. energy: 1.736
local terms energy: -287.428686
where:
bonds (distance) C4'-P energy: -54.542
bonds (distance) P-C4' energy: -47.093
flat angles C4'-P-C4' energy: -68.213
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -76.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -949.638462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.638462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.638462 (E_RNA)
where:
Base-Base interactions energy: -655.832
where: short stacking energy: -296.935
Base-Backbone interact. energy: -0.560
local terms energy: -293.246834
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -63.810
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -84.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -872.851278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.851278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.851278 (E_RNA)
where:
Base-Base interactions energy: -596.571
where: short stacking energy: -251.448
Base-Backbone interact. energy: 0.862
local terms energy: -277.142099
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -50.622
flat angles C4'-P-C4' energy: -53.103
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -72.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -708.151599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.151599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.151599 (E_RNA)
where:
Base-Base interactions energy: -463.970
where: short stacking energy: -213.000
Base-Backbone interact. energy: -0.427
local terms energy: -243.754669
where:
bonds (distance) C4'-P energy: -60.551
bonds (distance) P-C4' energy: -62.814
flat angles C4'-P-C4' energy: -46.539
flat angles P-C4'-P energy: -19.082
tors. eta vs tors. theta energy: -54.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -449.542476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.542476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.542476 (E_RNA)
where:
Base-Base interactions energy: -276.945
where: short stacking energy: -142.510
Base-Backbone interact. energy: -1.715
local terms energy: -170.882742
where:
bonds (distance) C4'-P energy: -48.127
bonds (distance) P-C4' energy: -34.018
flat angles C4'-P-C4' energy: -35.802
flat angles P-C4'-P energy: -33.027
tors. eta vs tors. theta energy: -19.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -415.061363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.061363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.061363 (E_RNA)
where:
Base-Base interactions energy: -221.800
where: short stacking energy: -121.207
Base-Backbone interact. energy: -0.524
local terms energy: -192.737278
where:
bonds (distance) C4'-P energy: -52.808
bonds (distance) P-C4' energy: -43.784
flat angles C4'-P-C4' energy: -47.745
flat angles P-C4'-P energy: -32.378
tors. eta vs tors. theta energy: -16.022
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: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1157.968387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.968387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.968387 (E_RNA)
where:
Base-Base interactions energy: -822.499
where: short stacking energy: -333.097
Base-Backbone interact. energy: -2.242
local terms energy: -333.227275
where:
bonds (distance) C4'-P energy: -69.248
bonds (distance) P-C4' energy: -60.028
flat angles C4'-P-C4' energy: -65.154
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -95.464
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: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1107.657695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.657695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.657695 (E_RNA)
where:
Base-Base interactions energy: -787.021
where: short stacking energy: -331.432
Base-Backbone interact. energy: -4.024
local terms energy: -316.613104
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -60.438
flat angles C4'-P-C4' energy: -63.917
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -98.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1051.546871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.546871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.546871 (E_RNA)
where:
Base-Base interactions energy: -723.913
where: short stacking energy: -316.997
Base-Backbone interact. energy: -0.514
local terms energy: -327.119362
where:
bonds (distance) C4'-P energy: -62.073
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -67.738
flat angles P-C4'-P energy: -41.956
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: 4, replica: 2
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1004.792461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.792461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.792461 (E_RNA)
where:
Base-Base interactions energy: -726.022
where: short stacking energy: -306.173
Base-Backbone interact. energy: 2.414
local terms energy: -281.183590
where:
bonds (distance) C4'-P energy: -54.662
bonds (distance) P-C4' energy: -42.848
flat angles C4'-P-C4' energy: -61.102
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -80.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -960.369222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.369222 (E_RNA)
where:
Base-Base interactions energy: -675.839
where: short stacking energy: -301.639
Base-Backbone interact. energy: 2.208
local terms energy: -286.738105
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -56.450
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -35.074
tors. eta vs tors. theta energy: -78.589
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: 5
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -922.337493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.337493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.337493 (E_RNA)
where:
Base-Base interactions energy: -635.327
where: short stacking energy: -275.181
Base-Backbone interact. energy: -1.576
local terms energy: -285.435097
where:
bonds (distance) C4'-P energy: -53.005
bonds (distance) P-C4' energy: -48.496
flat angles C4'-P-C4' energy: -56.913
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: -80.372
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: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -835.445521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.445521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.445521 (E_RNA)
where:
Base-Base interactions energy: -558.885
where: short stacking energy: -235.440
Base-Backbone interact. energy: -2.145
local terms energy: -274.415746
where:
bonds (distance) C4'-P energy: -53.646
bonds (distance) P-C4' energy: -51.772
flat angles C4'-P-C4' energy: -56.827
flat angles P-C4'-P energy: -49.842
tors. eta vs tors. theta energy: -62.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -697.069931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.069931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.069931 (E_RNA)
where:
Base-Base interactions energy: -448.454
where: short stacking energy: -200.137
Base-Backbone interact. energy: -0.336
local terms energy: -248.279550
where:
bonds (distance) C4'-P energy: -52.069
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -56.233
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -51.308
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: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -468.438961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.438961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.438961 (E_RNA)
where:
Base-Base interactions energy: -291.263
where: short stacking energy: -135.398
Base-Backbone interact. energy: 0.798
local terms energy: -177.974069
where:
bonds (distance) C4'-P energy: -45.912
bonds (distance) P-C4' energy: -55.166
flat angles C4'-P-C4' energy: -44.983
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -19.062
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: 407
Temperature: 1.350000
Total energy: -410.167251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.167251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.167251 (E_RNA)
where:
Base-Base interactions energy: -221.247
where: short stacking energy: -107.138
Base-Backbone interact. energy: 3.463
local terms energy: -192.384043
where:
bonds (distance) C4'-P energy: -51.089
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -47.919
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -9.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1175.522115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.522115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.522115 (E_RNA)
where:
Base-Base interactions energy: -843.481
where: short stacking energy: -345.645
Base-Backbone interact. energy: -1.168
local terms energy: -330.873104
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -61.358
flat angles C4'-P-C4' energy: -69.760
flat angles P-C4'-P energy: -47.108
tors. eta vs tors. theta energy: -90.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1105.668480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.668480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.668480 (E_RNA)
where:
Base-Base interactions energy: -789.510
where: short stacking energy: -322.150
Base-Backbone interact. energy: -1.092
local terms energy: -315.066157
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -58.742
flat angles C4'-P-C4' energy: -65.264
flat angles P-C4'-P energy: -45.955
tors. eta vs tors. theta energy: -94.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1041.690133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.690133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.690133 (E_RNA)
where:
Base-Base interactions energy: -724.748
where: short stacking energy: -320.116
Base-Backbone interact. energy: 0.851
local terms energy: -317.793066
where:
bonds (distance) C4'-P energy: -48.469
bonds (distance) P-C4' energy: -56.346
flat angles C4'-P-C4' energy: -63.822
flat angles P-C4'-P energy: -54.493
tors. eta vs tors. theta energy: -94.663
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: 408
Temperature: 1.050000
Total energy: -1021.738067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.738067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.738067 (E_RNA)
where:
Base-Base interactions energy: -722.042
where: short stacking energy: -303.424
Base-Backbone interact. energy: 1.655
local terms energy: -301.351525
where:
bonds (distance) C4'-P energy: -59.536
bonds (distance) P-C4' energy: -54.787
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -43.710
tors. eta vs tors. theta energy: -81.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -963.172714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.172714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.172714 (E_RNA)
where:
Base-Base interactions energy: -677.729
where: short stacking energy: -293.601
Base-Backbone interact. energy: -0.737
local terms energy: -284.706737
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -44.785
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -42.551
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -930.093064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.093064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.093064 (E_RNA)
where:
Base-Base interactions energy: -650.715
where: short stacking energy: -263.752
Base-Backbone interact. energy: -1.455
local terms energy: -277.923029
where:
bonds (distance) C4'-P energy: -52.360
bonds (distance) P-C4' energy: -58.824
flat angles C4'-P-C4' energy: -57.355
flat angles P-C4'-P energy: -37.651
tors. eta vs tors. theta energy: -71.733
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: 7, replica: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -847.907052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.907052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.907052 (E_RNA)
where:
Base-Base interactions energy: -562.135
where: short stacking energy: -243.488
Base-Backbone interact. energy: -1.474
local terms energy: -284.297495
where:
bonds (distance) C4'-P energy: -53.261
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -60.583
flat angles P-C4'-P energy: -40.831
tors. eta vs tors. theta energy: -67.662
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: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -670.298901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.298901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.298901 (E_RNA)
where:
Base-Base interactions energy: -430.364
where: short stacking energy: -207.066
Base-Backbone interact. energy: -0.219
local terms energy: -239.715749
where:
bonds (distance) C4'-P energy: -53.386
bonds (distance) P-C4' energy: -58.351
flat angles C4'-P-C4' energy: -52.029
flat angles P-C4'-P energy: -27.819
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -496.766961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.766961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.766961 (E_RNA)
where:
Base-Base interactions energy: -271.065
where: short stacking energy: -155.494
Base-Backbone interact. energy: -2.270
local terms energy: -223.431342
where:
bonds (distance) C4'-P energy: -47.997
bonds (distance) P-C4' energy: -61.065
flat angles C4'-P-C4' energy: -51.917
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -31.132
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: 408
Temperature: 1.350000
Total energy: -440.042182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.042182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.042182 (E_RNA)
where:
Base-Base interactions energy: -243.990
where: short stacking energy: -127.592
Base-Backbone interact. energy: -0.183
local terms energy: -195.869560
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -57.486
flat angles C4'-P-C4' energy: -52.873
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1173.610702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.610702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.610702 (E_RNA)
where:
Base-Base interactions energy: -846.611
where: short stacking energy: -341.863
Base-Backbone interact. energy: -2.358
local terms energy: -324.641353
where:
bonds (distance) C4'-P energy: -63.892
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -67.045
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -89.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1107.567186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.567186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.567186 (E_RNA)
where:
Base-Base interactions energy: -785.746
where: short stacking energy: -336.538
Base-Backbone interact. energy: -2.102
local terms energy: -319.719055
where:
bonds (distance) C4'-P energy: -59.050
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -71.876
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -93.066
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: 3, replica: 1
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1056.169522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.169522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.169522 (E_RNA)
where:
Base-Base interactions energy: -738.421
where: short stacking energy: -317.416
Base-Backbone interact. energy: -0.630
local terms energy: -317.119011
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -59.666
flat angles C4'-P-C4' energy: -64.750
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -93.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1024.027840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.027840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.027840 (E_RNA)
where:
Base-Base interactions energy: -728.480
where: short stacking energy: -310.895
Base-Backbone interact. energy: -0.590
local terms energy: -294.957179
where:
bonds (distance) C4'-P energy: -51.224
bonds (distance) P-C4' energy: -60.142
flat angles C4'-P-C4' energy: -64.617
flat angles P-C4'-P energy: -40.014
tors. eta vs tors. theta energy: -78.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -964.560365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.560365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.560365 (E_RNA)
where:
Base-Base interactions energy: -672.184
where: short stacking energy: -280.244
Base-Backbone interact. energy: -0.399
local terms energy: -291.977389
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -63.187
flat angles P-C4'-P energy: -44.343
tors. eta vs tors. theta energy: -67.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -918.071958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.071958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.071958 (E_RNA)
where:
Base-Base interactions energy: -618.544
where: short stacking energy: -272.743
Base-Backbone interact. energy: -0.357
local terms energy: -299.170432
where:
bonds (distance) C4'-P energy: -55.604
bonds (distance) P-C4' energy: -65.452
flat angles C4'-P-C4' energy: -63.570
flat angles P-C4'-P energy: -33.769
tors. eta vs tors. theta energy: -80.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -899.052946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.052946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.052946 (E_RNA)
where:
Base-Base interactions energy: -629.047
where: short stacking energy: -240.579
Base-Backbone interact. energy: -0.950
local terms energy: -269.055966
where:
bonds (distance) C4'-P energy: -47.793
bonds (distance) P-C4' energy: -50.677
flat angles C4'-P-C4' energy: -58.363
flat angles P-C4'-P energy: -47.714
tors. eta vs tors. theta energy: -64.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -653.511105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.511105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.511105 (E_RNA)
where:
Base-Base interactions energy: -412.738
where: short stacking energy: -182.850
Base-Backbone interact. energy: 5.588
local terms energy: -246.361068
where:
bonds (distance) C4'-P energy: -45.106
bonds (distance) P-C4' energy: -65.735
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -37.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -468.549514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.549514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.549514 (E_RNA)
where:
Base-Base interactions energy: -261.071
where: short stacking energy: -126.097
Base-Backbone interact. energy: 0.891
local terms energy: -208.369642
where:
bonds (distance) C4'-P energy: -44.847
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -55.372
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -456.138573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.138573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.138573 (E_RNA)
where:
Base-Base interactions energy: -243.168
where: short stacking energy: -130.729
Base-Backbone interact. energy: -0.077
local terms energy: -212.894215
where:
bonds (distance) C4'-P energy: -46.873
bonds (distance) P-C4' energy: -57.488
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -21.002
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: 410
Temperature: 0.900000
Total energy: -1178.743312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.743312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.743312 (E_RNA)
where:
Base-Base interactions energy: -857.337
where: short stacking energy: -347.003
Base-Backbone interact. energy: -2.589
local terms energy: -318.817902
where:
bonds (distance) C4'-P energy: -49.706
bonds (distance) P-C4' energy: -60.153
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -50.702
tors. eta vs tors. theta energy: -88.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1121.930058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.930058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.930058 (E_RNA)
where:
Base-Base interactions energy: -813.548
where: short stacking energy: -325.303
Base-Backbone interact. energy: -0.569
local terms energy: -307.812822
where:
bonds (distance) C4'-P energy: -61.283
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -66.570
flat angles P-C4'-P energy: -28.856
tors. eta vs tors. theta energy: -92.360
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: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1045.778899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.778899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.778899 (E_RNA)
where:
Base-Base interactions energy: -713.316
where: short stacking energy: -303.706
Base-Backbone interact. energy: -1.039
local terms energy: -331.423466
where:
bonds (distance) C4'-P energy: -60.074
bonds (distance) P-C4' energy: -61.310
flat angles C4'-P-C4' energy: -71.561
flat angles P-C4'-P energy: -44.604
tors. eta vs tors. theta energy: -93.875
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: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1014.870518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.870518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.870518 (E_RNA)
where:
Base-Base interactions energy: -721.219
where: short stacking energy: -292.809
Base-Backbone interact. energy: 0.468
local terms energy: -294.119770
where:
bonds (distance) C4'-P energy: -56.877
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -64.497
flat angles P-C4'-P energy: -37.253
tors. eta vs tors. theta energy: -75.978
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: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -969.502016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.502016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.502016 (E_RNA)
where:
Base-Base interactions energy: -666.552
where: short stacking energy: -295.419
Base-Backbone interact. energy: -0.453
local terms energy: -302.496482
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -63.757
flat angles C4'-P-C4' energy: -62.469
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -83.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -931.632517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.632517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.632517 (E_RNA)
where:
Base-Base interactions energy: -644.342
where: short stacking energy: -261.392
Base-Backbone interact. energy: -1.125
local terms energy: -286.165434
where:
bonds (distance) C4'-P energy: -58.879
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -44.275
tors. eta vs tors. theta energy: -69.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -863.484048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.484048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.484048 (E_RNA)
where:
Base-Base interactions energy: -586.274
where: short stacking energy: -244.483
Base-Backbone interact. energy: -0.811
local terms energy: -276.398618
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -62.019
flat angles C4'-P-C4' energy: -64.448
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: -66.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -674.580299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.580299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.580299 (E_RNA)
where:
Base-Base interactions energy: -440.530
where: short stacking energy: -192.437
Base-Backbone interact. energy: -0.347
local terms energy: -233.702913
where:
bonds (distance) C4'-P energy: -51.867
bonds (distance) P-C4' energy: -62.072
flat angles C4'-P-C4' energy: -47.701
flat angles P-C4'-P energy: -37.880
tors. eta vs tors. theta energy: -34.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -483.854005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.854005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.854005 (E_RNA)
where:
Base-Base interactions energy: -296.230
where: short stacking energy: -154.719
Base-Backbone interact. energy: -1.413
local terms energy: -186.210919
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -56.512
flat angles C4'-P-C4' energy: -37.631
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: -24.833
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: 4
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -469.441807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.441807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.441807 (E_RNA)
where:
Base-Base interactions energy: -266.044
where: short stacking energy: -121.323
Base-Backbone interact. energy: -1.862
local terms energy: -201.535465
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -47.871
flat angles C4'-P-C4' energy: -51.789
flat angles P-C4'-P energy: -45.399
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1196.120534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.120534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.120534 (E_RNA)
where:
Base-Base interactions energy: -858.179
where: short stacking energy: -347.232
Base-Backbone interact. energy: -4.044
local terms energy: -333.897673
where:
bonds (distance) C4'-P energy: -60.251
bonds (distance) P-C4' energy: -62.426
flat angles C4'-P-C4' energy: -69.883
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -93.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1048.484326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.484326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.484326 (E_RNA)
where:
Base-Base interactions energy: -719.963
where: short stacking energy: -302.512
Base-Backbone interact. energy: -1.560
local terms energy: -326.961432
where:
bonds (distance) C4'-P energy: -61.748
bonds (distance) P-C4' energy: -65.706
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -47.698
tors. eta vs tors. theta energy: -82.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1104.660284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.660284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.660284 (E_RNA)
where:
Base-Base interactions energy: -773.206
where: short stacking energy: -325.627
Base-Backbone interact. energy: -1.431
local terms energy: -330.023922
where:
bonds (distance) C4'-P energy: -54.831
bonds (distance) P-C4' energy: -60.854
flat angles C4'-P-C4' energy: -72.305
flat angles P-C4'-P energy: -45.158
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1029.193132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.193132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.193132 (E_RNA)
where:
Base-Base interactions energy: -738.315
where: short stacking energy: -302.407
Base-Backbone interact. energy: -0.749
local terms energy: -290.129182
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -58.214
flat angles C4'-P-C4' energy: -65.476
flat angles P-C4'-P energy: -28.305
tors. eta vs tors. theta energy: -84.074
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: 411
Temperature: 1.100000
Total energy: -984.741473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.741473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.741473 (E_RNA)
where:
Base-Base interactions energy: -704.843
where: short stacking energy: -301.591
Base-Backbone interact. energy: -1.169
local terms energy: -278.729178
where:
bonds (distance) C4'-P energy: -49.135
bonds (distance) P-C4' energy: -59.317
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -37.314
tors. eta vs tors. theta energy: -71.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -939.031110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.031110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.031110 (E_RNA)
where:
Base-Base interactions energy: -641.537
where: short stacking energy: -281.100
Base-Backbone interact. energy: 0.534
local terms energy: -298.028216
where:
bonds (distance) C4'-P energy: -61.865
bonds (distance) P-C4' energy: -49.007
flat angles C4'-P-C4' energy: -63.854
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -86.067
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -867.786859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.786859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.786859 (E_RNA)
where:
Base-Base interactions energy: -597.144
where: short stacking energy: -261.901
Base-Backbone interact. energy: 0.949
local terms energy: -271.592263
where:
bonds (distance) C4'-P energy: -46.532
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -76.320
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: 8, replica: 8
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -684.378928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.378928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.378928 (E_RNA)
where:
Base-Base interactions energy: -450.471
where: short stacking energy: -208.906
Base-Backbone interact. energy: -1.118
local terms energy: -232.790284
where:
bonds (distance) C4'-P energy: -51.955
bonds (distance) P-C4' energy: -44.695
flat angles C4'-P-C4' energy: -57.768
flat angles P-C4'-P energy: -34.085
tors. eta vs tors. theta energy: -44.287
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: 411
Temperature: 1.300000
Total energy: -456.783666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.783666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.783666 (E_RNA)
where:
Base-Base interactions energy: -245.409
where: short stacking energy: -118.389
Base-Backbone interact. energy: -1.930
local terms energy: -209.445119
where:
bonds (distance) C4'-P energy: -49.015
bonds (distance) P-C4' energy: -61.830
flat angles C4'-P-C4' energy: -46.240
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -420.078061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.078061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.078061 (E_RNA)
where:
Base-Base interactions energy: -237.967
where: short stacking energy: -132.754
Base-Backbone interact. energy: -1.034
local terms energy: -181.077149
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -46.648
flat angles C4'-P-C4' energy: -45.503
flat angles P-C4'-P energy: -26.968
tors. eta vs tors. theta energy: -14.906
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: 3
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1194.436180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.436180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.436180 (E_RNA)
where:
Base-Base interactions energy: -872.817
where: short stacking energy: -350.132
Base-Backbone interact. energy: -1.070
local terms energy: -320.548425
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -58.127
flat angles C4'-P-C4' energy: -69.275
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -89.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1073.905957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.905957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.905957 (E_RNA)
where:
Base-Base interactions energy: -748.859
where: short stacking energy: -312.197
Base-Backbone interact. energy: 2.105
local terms energy: -327.151284
where:
bonds (distance) C4'-P energy: -60.874
bonds (distance) P-C4' energy: -68.931
flat angles C4'-P-C4' energy: -70.831
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: -88.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1107.016781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.016781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.016781 (E_RNA)
where:
Base-Base interactions energy: -787.196
where: short stacking energy: -336.126
Base-Backbone interact. energy: -0.571
local terms energy: -319.249790
where:
bonds (distance) C4'-P energy: -60.712
bonds (distance) P-C4' energy: -54.678
flat angles C4'-P-C4' energy: -71.305
flat angles P-C4'-P energy: -37.026
tors. eta vs tors. theta energy: -95.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1043.767663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.767663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.767663 (E_RNA)
where:
Base-Base interactions energy: -742.524
where: short stacking energy: -290.318
Base-Backbone interact. energy: 1.660
local terms energy: -302.904296
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -65.026
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -33.886
tors. eta vs tors. theta energy: -76.352
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: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -984.608266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.608266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.608266 (E_RNA)
where:
Base-Base interactions energy: -689.901
where: short stacking energy: -281.694
Base-Backbone interact. energy: -2.350
local terms energy: -292.356977
where:
bonds (distance) C4'-P energy: -51.319
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -40.223
tors. eta vs tors. theta energy: -74.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -901.977643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.977643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.977643 (E_RNA)
where:
Base-Base interactions energy: -621.373
where: short stacking energy: -267.010
Base-Backbone interact. energy: -1.043
local terms energy: -279.561398
where:
bonds (distance) C4'-P energy: -50.964
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -69.933
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -68.579
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: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -865.108142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.108142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.108142 (E_RNA)
where:
Base-Base interactions energy: -594.594
where: short stacking energy: -242.257
Base-Backbone interact. energy: -1.533
local terms energy: -268.980453
where:
bonds (distance) C4'-P energy: -59.698
bonds (distance) P-C4' energy: -53.872
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -65.762
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: 8
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -666.853441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.853441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.853441 (E_RNA)
where:
Base-Base interactions energy: -454.761
where: short stacking energy: -209.667
Base-Backbone interact. energy: -0.535
local terms energy: -211.557192
where:
bonds (distance) C4'-P energy: -32.367
bonds (distance) P-C4' energy: -53.133
flat angles C4'-P-C4' energy: -50.163
flat angles P-C4'-P energy: -37.866
tors. eta vs tors. theta energy: -38.029
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: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -449.850934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.850934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.850934 (E_RNA)
where:
Base-Base interactions energy: -248.196
where: short stacking energy: -116.444
Base-Backbone interact. energy: -0.618
local terms energy: -201.036945
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -57.903
flat angles C4'-P-C4' energy: -41.219
flat angles P-C4'-P energy: -21.080
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -451.595163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.595163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.595163 (E_RNA)
where:
Base-Base interactions energy: -259.678
where: short stacking energy: -139.861
Base-Backbone interact. energy: 0.194
local terms energy: -192.111683
where:
bonds (distance) C4'-P energy: -52.800
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -34.132
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -15.696
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: 3
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1176.036654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.036654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.036654 (E_RNA)
where:
Base-Base interactions energy: -854.633
where: short stacking energy: -341.663
Base-Backbone interact. energy: -1.003
local terms energy: -320.400849
where:
bonds (distance) C4'-P energy: -62.516
bonds (distance) P-C4' energy: -61.032
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -86.955
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: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1059.065825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.065825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.065825 (E_RNA)
where:
Base-Base interactions energy: -727.081
where: short stacking energy: -326.252
Base-Backbone interact. energy: -0.836
local terms energy: -331.149172
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -71.054
flat angles P-C4'-P energy: -48.021
tors. eta vs tors. theta energy: -95.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1116.494887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.494887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.494887 (E_RNA)
where:
Base-Base interactions energy: -798.405
where: short stacking energy: -323.833
Base-Backbone interact. energy: -1.547
local terms energy: -316.542786
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -71.379
flat angles P-C4'-P energy: -36.038
tors. eta vs tors. theta energy: -95.008
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: 2
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1067.879743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.879743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.879743 (E_RNA)
where:
Base-Base interactions energy: -766.502
where: short stacking energy: -319.920
Base-Backbone interact. energy: -1.102
local terms energy: -300.276196
where:
bonds (distance) C4'-P energy: -61.355
bonds (distance) P-C4' energy: -51.877
flat angles C4'-P-C4' energy: -68.028
flat angles P-C4'-P energy: -34.339
tors. eta vs tors. theta energy: -84.676
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: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -977.841400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.841400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.841400 (E_RNA)
where:
Base-Base interactions energy: -686.146
where: short stacking energy: -299.023
Base-Backbone interact. energy: -0.617
local terms energy: -291.078136
where:
bonds (distance) C4'-P energy: -53.856
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -61.630
flat angles P-C4'-P energy: -40.171
tors. eta vs tors. theta energy: -76.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -896.010374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.010374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.010374 (E_RNA)
where:
Base-Base interactions energy: -627.846
where: short stacking energy: -258.004
Base-Backbone interact. energy: -1.968
local terms energy: -266.196883
where:
bonds (distance) C4'-P energy: -45.274
bonds (distance) P-C4' energy: -62.608
flat angles C4'-P-C4' energy: -59.692
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -65.084
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: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -881.154638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.154638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.154638 (E_RNA)
where:
Base-Base interactions energy: -610.148
where: short stacking energy: -262.482
Base-Backbone interact. energy: -1.122
local terms energy: -269.884271
where:
bonds (distance) C4'-P energy: -48.262
bonds (distance) P-C4' energy: -52.940
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -68.514
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: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -701.647693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.647693 (E_RNA)
where:
Base-Base interactions energy: -481.191
where: short stacking energy: -209.106
Base-Backbone interact. energy: -0.406
local terms energy: -220.050597
where:
bonds (distance) C4'-P energy: -48.603
bonds (distance) P-C4' energy: -46.248
flat angles C4'-P-C4' energy: -60.856
flat angles P-C4'-P energy: -30.361
tors. eta vs tors. theta energy: -33.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -498.098526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.098526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.098526 (E_RNA)
where:
Base-Base interactions energy: -290.390
where: short stacking energy: -152.863
Base-Backbone interact. energy: -2.010
local terms energy: -205.698686
where:
bonds (distance) C4'-P energy: -38.115
bonds (distance) P-C4' energy: -53.071
flat angles C4'-P-C4' energy: -60.260
flat angles P-C4'-P energy: -20.681
tors. eta vs tors. theta energy: -33.571
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: 4
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -448.381147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.381147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.381147 (E_RNA)
where:
Base-Base interactions energy: -244.306
where: short stacking energy: -137.814
Base-Backbone interact. energy: 0.738
local terms energy: -204.812934
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -51.145
flat angles C4'-P-C4' energy: -51.675
flat angles P-C4'-P energy: -37.166
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1167.936252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.936252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.936252 (E_RNA)
where:
Base-Base interactions energy: -846.835
where: short stacking energy: -339.073
Base-Backbone interact. energy: 0.028
local terms energy: -321.129719
where:
bonds (distance) C4'-P energy: -58.003
bonds (distance) P-C4' energy: -60.151
flat angles C4'-P-C4' energy: -66.551
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -91.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1062.957525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.957525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.957525 (E_RNA)
where:
Base-Base interactions energy: -737.401
where: short stacking energy: -322.737
Base-Backbone interact. energy: -1.960
local terms energy: -323.596024
where:
bonds (distance) C4'-P energy: -65.672
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -61.010
flat angles P-C4'-P energy: -42.122
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: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1107.146973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.146973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.146973 (E_RNA)
where:
Base-Base interactions energy: -804.656
where: short stacking energy: -335.485
Base-Backbone interact. energy: 2.323
local terms energy: -304.814408
where:
bonds (distance) C4'-P energy: -41.392
bonds (distance) P-C4' energy: -61.160
flat angles C4'-P-C4' energy: -65.060
flat angles P-C4'-P energy: -38.520
tors. eta vs tors. theta energy: -98.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1053.326951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.326951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.326951 (E_RNA)
where:
Base-Base interactions energy: -751.064
where: short stacking energy: -318.818
Base-Backbone interact. energy: -2.288
local terms energy: -299.975081
where:
bonds (distance) C4'-P energy: -52.044
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -63.077
flat angles P-C4'-P energy: -42.985
tors. eta vs tors. theta energy: -79.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -987.401470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.401470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.401470 (E_RNA)
where:
Base-Base interactions energy: -695.436
where: short stacking energy: -298.650
Base-Backbone interact. energy: 0.181
local terms energy: -292.146517
where:
bonds (distance) C4'-P energy: -58.460
bonds (distance) P-C4' energy: -57.355
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -35.609
tors. eta vs tors. theta energy: -75.891
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -866.909639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.909639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.909639 (E_RNA)
where:
Base-Base interactions energy: -583.281
where: short stacking energy: -238.448
Base-Backbone interact. energy: -0.417
local terms energy: -283.211484
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -66.041
flat angles C4'-P-C4' energy: -61.873
flat angles P-C4'-P energy: -35.738
tors. eta vs tors. theta energy: -62.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -857.944516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.944516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.944516 (E_RNA)
where:
Base-Base interactions energy: -593.654
where: short stacking energy: -253.108
Base-Backbone interact. energy: -0.580
local terms energy: -263.710245
where:
bonds (distance) C4'-P energy: -49.866
bonds (distance) P-C4' energy: -42.770
flat angles C4'-P-C4' energy: -58.473
flat angles P-C4'-P energy: -39.273
tors. eta vs tors. theta energy: -73.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -702.560159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.560159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.560159 (E_RNA)
where:
Base-Base interactions energy: -449.912
where: short stacking energy: -220.957
Base-Backbone interact. energy: -0.477
local terms energy: -252.171053
where:
bonds (distance) C4'-P energy: -54.122
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -38.039
tors. eta vs tors. theta energy: -53.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -520.794298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.794298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.794298 (E_RNA)
where:
Base-Base interactions energy: -313.905
where: short stacking energy: -155.016
Base-Backbone interact. energy: 1.019
local terms energy: -207.908598
where:
bonds (distance) C4'-P energy: -55.742
bonds (distance) P-C4' energy: -53.660
flat angles C4'-P-C4' energy: -27.603
flat angles P-C4'-P energy: -38.111
tors. eta vs tors. theta energy: -32.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -400.392494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.392494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.392494 (E_RNA)
where:
Base-Base interactions energy: -231.979
where: short stacking energy: -112.042
Base-Backbone interact. energy: -0.987
local terms energy: -167.426518
where:
bonds (distance) C4'-P energy: -47.397
bonds (distance) P-C4' energy: -51.341
flat angles C4'-P-C4' energy: -39.381
flat angles P-C4'-P energy: -27.268
tors. eta vs tors. theta energy: -2.040
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: 415
Temperature: 0.900000
Total energy: -1152.603433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.603433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.603433 (E_RNA)
where:
Base-Base interactions energy: -837.559
where: short stacking energy: -339.031
Base-Backbone interact. energy: -1.028
local terms energy: -314.016168
where:
bonds (distance) C4'-P energy: -51.642
bonds (distance) P-C4' energy: -58.352
flat angles C4'-P-C4' energy: -66.242
flat angles P-C4'-P energy: -48.308
tors. eta vs tors. theta energy: -89.473
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: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1111.364936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.364936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.364936 (E_RNA)
where:
Base-Base interactions energy: -792.997
where: short stacking energy: -326.208
Base-Backbone interact. energy: -1.448
local terms energy: -316.919308
where:
bonds (distance) C4'-P energy: -64.336
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -64.878
flat angles P-C4'-P energy: -40.046
tors. eta vs tors. theta energy: -94.760
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: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1034.607118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.607118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.607118 (E_RNA)
where:
Base-Base interactions energy: -716.422
where: short stacking energy: -309.578
Base-Backbone interact. energy: -1.883
local terms energy: -316.302299
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -67.898
flat angles P-C4'-P energy: -47.180
tors. eta vs tors. theta energy: -89.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1043.664811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.664811 (E_RNA)
where:
Base-Base interactions energy: -727.643
where: short stacking energy: -310.213
Base-Backbone interact. energy: -0.601
local terms energy: -315.420753
where:
bonds (distance) C4'-P energy: -57.136
bonds (distance) P-C4' energy: -63.326
flat angles C4'-P-C4' energy: -66.503
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -84.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -971.598954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.598954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.598954 (E_RNA)
where:
Base-Base interactions energy: -681.806
where: short stacking energy: -291.992
Base-Backbone interact. energy: -0.545
local terms energy: -289.247454
where:
bonds (distance) C4'-P energy: -46.122
bonds (distance) P-C4' energy: -59.252
flat angles C4'-P-C4' energy: -59.980
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: -75.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -869.091611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.091611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.091611 (E_RNA)
where:
Base-Base interactions energy: -594.167
where: short stacking energy: -264.435
Base-Backbone interact. energy: -0.776
local terms energy: -274.149285
where:
bonds (distance) C4'-P energy: -50.781
bonds (distance) P-C4' energy: -60.539
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -30.587
tors. eta vs tors. theta energy: -65.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -836.414750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.414750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.414750 (E_RNA)
where:
Base-Base interactions energy: -580.049
where: short stacking energy: -239.641
Base-Backbone interact. energy: -1.032
local terms energy: -255.333739
where:
bonds (distance) C4'-P energy: -41.686
bonds (distance) P-C4' energy: -57.051
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -38.125
tors. eta vs tors. theta energy: -56.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -643.503450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.503450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.503450 (E_RNA)
where:
Base-Base interactions energy: -407.109
where: short stacking energy: -186.989
Base-Backbone interact. energy: 0.787
local terms energy: -237.181136
where:
bonds (distance) C4'-P energy: -52.389
bonds (distance) P-C4' energy: -45.276
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -36.807
tors. eta vs tors. theta energy: -46.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -472.949520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.949520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.949520 (E_RNA)
where:
Base-Base interactions energy: -273.570
where: short stacking energy: -135.125
Base-Backbone interact. energy: 0.405
local terms energy: -199.784645
where:
bonds (distance) C4'-P energy: -49.390
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -50.081
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -420.157166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.157166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.157166 (E_RNA)
where:
Base-Base interactions energy: -212.569
where: short stacking energy: -116.555
Base-Backbone interact. energy: 0.487
local terms energy: -208.075645
where:
bonds (distance) C4'-P energy: -60.322
bonds (distance) P-C4' energy: -53.766
flat angles C4'-P-C4' energy: -43.564
flat angles P-C4'-P energy: -35.627
tors. eta vs tors. theta energy: -14.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1169.016572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.016572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.016572 (E_RNA)
where:
Base-Base interactions energy: -846.612
where: short stacking energy: -346.386
Base-Backbone interact. energy: -0.865
local terms energy: -321.539025
where:
bonds (distance) C4'-P energy: -56.972
bonds (distance) P-C4' energy: -60.675
flat angles C4'-P-C4' energy: -73.123
flat angles P-C4'-P energy: -41.908
tors. eta vs tors. theta energy: -88.860
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: 6
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1101.057660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.057660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.057660 (E_RNA)
where:
Base-Base interactions energy: -791.441
where: short stacking energy: -330.281
Base-Backbone interact. energy: -0.058
local terms energy: -309.558431
where:
bonds (distance) C4'-P energy: -39.675
bonds (distance) P-C4' energy: -63.541
flat angles C4'-P-C4' energy: -66.629
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -94.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1048.128020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.128020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.128020 (E_RNA)
where:
Base-Base interactions energy: -735.360
where: short stacking energy: -308.090
Base-Backbone interact. energy: -1.202
local terms energy: -311.565853
where:
bonds (distance) C4'-P energy: -53.861
bonds (distance) P-C4' energy: -63.504
flat angles C4'-P-C4' energy: -61.624
flat angles P-C4'-P energy: -46.001
tors. eta vs tors. theta energy: -86.577
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1027.966402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.966402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.966402 (E_RNA)
where:
Base-Base interactions energy: -711.060
where: short stacking energy: -325.394
Base-Backbone interact. energy: 1.074
local terms energy: -317.980128
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -50.399
flat angles C4'-P-C4' energy: -66.762
flat angles P-C4'-P energy: -56.524
tors. eta vs tors. theta energy: -93.994
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: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -977.788275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.788275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.788275 (E_RNA)
where:
Base-Base interactions energy: -669.477
where: short stacking energy: -297.817
Base-Backbone interact. energy: 0.836
local terms energy: -309.146615
where:
bonds (distance) C4'-P energy: -67.055
bonds (distance) P-C4' energy: -55.846
flat angles C4'-P-C4' energy: -64.969
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -84.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -861.998198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.998198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.998198 (E_RNA)
where:
Base-Base interactions energy: -582.399
where: short stacking energy: -262.102
Base-Backbone interact. energy: -1.000
local terms energy: -278.599331
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -53.753
flat angles C4'-P-C4' energy: -60.717
flat angles P-C4'-P energy: -46.975
tors. eta vs tors. theta energy: -67.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -837.871866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.871866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.871866 (E_RNA)
where:
Base-Base interactions energy: -590.445
where: short stacking energy: -249.266
Base-Backbone interact. energy: -1.709
local terms energy: -245.717241
where:
bonds (distance) C4'-P energy: -52.035
bonds (distance) P-C4' energy: -49.874
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -29.191
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: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -625.756559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.756559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.756559 (E_RNA)
where:
Base-Base interactions energy: -403.866
where: short stacking energy: -196.908
Base-Backbone interact. energy: -0.804
local terms energy: -221.087238
where:
bonds (distance) C4'-P energy: -47.231
bonds (distance) P-C4' energy: -54.088
flat angles C4'-P-C4' energy: -56.522
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -30.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -489.033070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.033070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.033070 (E_RNA)
where:
Base-Base interactions energy: -278.289
where: short stacking energy: -152.119
Base-Backbone interact. energy: -1.116
local terms energy: -209.627771
where:
bonds (distance) C4'-P energy: -51.264
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -48.722
flat angles P-C4'-P energy: -33.281
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -409.857813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.857813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.857813 (E_RNA)
where:
Base-Base interactions energy: -227.795
where: short stacking energy: -113.455
Base-Backbone interact. energy: -0.290
local terms energy: -181.772662
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -48.459
flat angles C4'-P-C4' energy: -46.997
flat angles P-C4'-P energy: -29.430
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1171.642570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.642570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.642570 (E_RNA)
where:
Base-Base interactions energy: -831.845
where: short stacking energy: -336.326
Base-Backbone interact. energy: -1.009
local terms energy: -338.788129
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -69.318
flat angles C4'-P-C4' energy: -65.447
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -91.674
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: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1117.926432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.926432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.926432 (E_RNA)
where:
Base-Base interactions energy: -788.581
where: short stacking energy: -328.442
Base-Backbone interact. energy: -1.775
local terms energy: -327.570481
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -62.855
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -92.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1043.300934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.300934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.300934 (E_RNA)
where:
Base-Base interactions energy: -743.113
where: short stacking energy: -311.151
Base-Backbone interact. energy: -0.318
local terms energy: -299.869909
where:
bonds (distance) C4'-P energy: -52.340
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -69.507
flat angles P-C4'-P energy: -47.456
tors. eta vs tors. theta energy: -76.094
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1023.126609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.126609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.126609 (E_RNA)
where:
Base-Base interactions energy: -717.003
where: short stacking energy: -315.653
Base-Backbone interact. energy: -0.665
local terms energy: -305.459033
where:
bonds (distance) C4'-P energy: -46.709
bonds (distance) P-C4' energy: -55.225
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -45.629
tors. eta vs tors. theta energy: -94.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -965.564137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.564137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.564137 (E_RNA)
where:
Base-Base interactions energy: -670.586
where: short stacking energy: -299.636
Base-Backbone interact. energy: -0.107
local terms energy: -294.871576
where:
bonds (distance) C4'-P energy: -45.392
bonds (distance) P-C4' energy: -56.224
flat angles C4'-P-C4' energy: -65.609
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -83.579
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: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -837.507948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.507948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.507948 (E_RNA)
where:
Base-Base interactions energy: -566.251
where: short stacking energy: -247.914
Base-Backbone interact. energy: -1.050
local terms energy: -270.206613
where:
bonds (distance) C4'-P energy: -52.506
bonds (distance) P-C4' energy: -56.122
flat angles C4'-P-C4' energy: -60.060
flat angles P-C4'-P energy: -39.467
tors. eta vs tors. theta energy: -62.052
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -815.168941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.168941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.168941 (E_RNA)
where:
Base-Base interactions energy: -557.833
where: short stacking energy: -254.019
Base-Backbone interact. energy: -0.320
local terms energy: -257.015889
where:
bonds (distance) C4'-P energy: -45.202
bonds (distance) P-C4' energy: -51.589
flat angles C4'-P-C4' energy: -53.243
flat angles P-C4'-P energy: -39.767
tors. eta vs tors. theta energy: -67.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -622.616355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.616355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.616355 (E_RNA)
where:
Base-Base interactions energy: -393.976
where: short stacking energy: -177.359
Base-Backbone interact. energy: -1.339
local terms energy: -227.301590
where:
bonds (distance) C4'-P energy: -54.012
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -57.514
flat angles P-C4'-P energy: -33.827
tors. eta vs tors. theta energy: -33.009
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: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -479.157334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.157334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.157334 (E_RNA)
where:
Base-Base interactions energy: -305.375
where: short stacking energy: -141.005
Base-Backbone interact. energy: -0.897
local terms energy: -172.885392
where:
bonds (distance) C4'-P energy: -41.052
bonds (distance) P-C4' energy: -57.254
flat angles C4'-P-C4' energy: -34.409
flat angles P-C4'-P energy: -20.438
tors. eta vs tors. theta energy: -19.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -404.220149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.220149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.220149 (E_RNA)
where:
Base-Base interactions energy: -218.018
where: short stacking energy: -120.295
Base-Backbone interact. energy: -0.889
local terms energy: -185.313570
where:
bonds (distance) C4'-P energy: -44.473
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -57.115
flat angles P-C4'-P energy: -20.624
tors. eta vs tors. theta energy: -6.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1160.508153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.508153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.508153 (E_RNA)
where:
Base-Base interactions energy: -842.987
where: short stacking energy: -336.859
Base-Backbone interact. energy: -1.727
local terms energy: -315.794030
where:
bonds (distance) C4'-P energy: -60.804
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -62.966
flat angles P-C4'-P energy: -47.714
tors. eta vs tors. theta energy: -91.598
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1120.158462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.158462 (E_RNA)
where:
Base-Base interactions energy: -785.918
where: short stacking energy: -322.684
Base-Backbone interact. energy: -2.910
local terms energy: -331.331029
where:
bonds (distance) C4'-P energy: -64.155
bonds (distance) P-C4' energy: -58.241
flat angles C4'-P-C4' energy: -65.529
flat angles P-C4'-P energy: -44.731
tors. eta vs tors. theta energy: -98.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1038.817636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.817636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.817636 (E_RNA)
where:
Base-Base interactions energy: -721.844
where: short stacking energy: -293.688
Base-Backbone interact. energy: -1.347
local terms energy: -315.626742
where:
bonds (distance) C4'-P energy: -57.764
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -65.785
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -83.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1000.055916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.055916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.055916 (E_RNA)
where:
Base-Base interactions energy: -701.459
where: short stacking energy: -300.472
Base-Backbone interact. energy: 1.749
local terms energy: -300.345949
where:
bonds (distance) C4'-P energy: -61.820
bonds (distance) P-C4' energy: -57.052
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -36.854
tors. eta vs tors. theta energy: -82.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -974.569592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.569592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.569592 (E_RNA)
where:
Base-Base interactions energy: -665.836
where: short stacking energy: -294.715
Base-Backbone interact. energy: -0.770
local terms energy: -307.963711
where:
bonds (distance) C4'-P energy: -67.415
bonds (distance) P-C4' energy: -57.706
flat angles C4'-P-C4' energy: -66.287
flat angles P-C4'-P energy: -35.438
tors. eta vs tors. theta energy: -81.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -845.137029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.137029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.137029 (E_RNA)
where:
Base-Base interactions energy: -583.485
where: short stacking energy: -251.012
Base-Backbone interact. energy: -0.848
local terms energy: -260.804484
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -54.618
flat angles P-C4'-P energy: -35.990
tors. eta vs tors. theta energy: -67.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -853.482597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.482597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.482597 (E_RNA)
where:
Base-Base interactions energy: -595.883
where: short stacking energy: -256.789
Base-Backbone interact. energy: -1.131
local terms energy: -256.469137
where:
bonds (distance) C4'-P energy: -40.359
bonds (distance) P-C4' energy: -54.168
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -64.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -632.785565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.785565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.785565 (E_RNA)
where:
Base-Base interactions energy: -406.752
where: short stacking energy: -185.781
Base-Backbone interact. energy: -3.792
local terms energy: -222.241513
where:
bonds (distance) C4'-P energy: -46.332
bonds (distance) P-C4' energy: -50.790
flat angles C4'-P-C4' energy: -56.944
flat angles P-C4'-P energy: -28.938
tors. eta vs tors. theta energy: -39.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -466.148923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.148923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.148923 (E_RNA)
where:
Base-Base interactions energy: -272.663
where: short stacking energy: -141.960
Base-Backbone interact. energy: -1.557
local terms energy: -191.928715
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -50.997
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -17.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -401.717984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.717984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.717984 (E_RNA)
where:
Base-Base interactions energy: -226.255
where: short stacking energy: -131.502
Base-Backbone interact. energy: 4.050
local terms energy: -179.513368
where:
bonds (distance) C4'-P energy: -37.271
bonds (distance) P-C4' energy: -55.615
flat angles C4'-P-C4' energy: -49.158
flat angles P-C4'-P energy: -24.232
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1172.181855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.181855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.181855 (E_RNA)
where:
Base-Base interactions energy: -839.947
where: short stacking energy: -346.799
Base-Backbone interact. energy: -0.219
local terms energy: -332.016175
where:
bonds (distance) C4'-P energy: -59.332
bonds (distance) P-C4' energy: -63.528
flat angles C4'-P-C4' energy: -72.768
flat angles P-C4'-P energy: -43.754
tors. eta vs tors. theta energy: -92.634
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1103.984490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.984490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.984490 (E_RNA)
where:
Base-Base interactions energy: -786.661
where: short stacking energy: -326.514
Base-Backbone interact. energy: -2.198
local terms energy: -315.125498
where:
bonds (distance) C4'-P energy: -59.647
bonds (distance) P-C4' energy: -59.549
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -33.788
tors. eta vs tors. theta energy: -90.814
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1106.297390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.297390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.297390 (E_RNA)
where:
Base-Base interactions energy: -786.400
where: short stacking energy: -315.635
Base-Backbone interact. energy: -0.507
local terms energy: -319.389682
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -60.570
flat angles C4'-P-C4' energy: -62.092
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: -95.057
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: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1009.737808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.737808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.737808 (E_RNA)
where:
Base-Base interactions energy: -716.903
where: short stacking energy: -302.546
Base-Backbone interact. energy: -1.899
local terms energy: -290.936021
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -53.719
flat angles C4'-P-C4' energy: -63.913
flat angles P-C4'-P energy: -31.589
tors. eta vs tors. theta energy: -88.456
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: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -987.866448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.866448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.866448 (E_RNA)
where:
Base-Base interactions energy: -696.693
where: short stacking energy: -310.216
Base-Backbone interact. energy: 0.576
local terms energy: -291.748719
where:
bonds (distance) C4'-P energy: -47.297
bonds (distance) P-C4' energy: -61.979
flat angles C4'-P-C4' energy: -57.659
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -89.554
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: 6, replica: 9
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -835.641997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.641997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.641997 (E_RNA)
where:
Base-Base interactions energy: -568.453
where: short stacking energy: -241.063
Base-Backbone interact. energy: -1.903
local terms energy: -265.285963
where:
bonds (distance) C4'-P energy: -54.335
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -58.925
flat angles P-C4'-P energy: -41.906
tors. eta vs tors. theta energy: -57.059
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: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -812.142547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.142547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.142547 (E_RNA)
where:
Base-Base interactions energy: -562.319
where: short stacking energy: -230.801
Base-Backbone interact. energy: -0.847
local terms energy: -248.976346
where:
bonds (distance) C4'-P energy: -42.448
bonds (distance) P-C4' energy: -52.679
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -40.730
tors. eta vs tors. theta energy: -52.686
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: 8
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -657.744006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.744006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.744006 (E_RNA)
where:
Base-Base interactions energy: -428.680
where: short stacking energy: -199.300
Base-Backbone interact. energy: -0.683
local terms energy: -228.381116
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -59.932
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -41.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -487.004359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.004359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.004359 (E_RNA)
where:
Base-Base interactions energy: -297.398
where: short stacking energy: -141.960
Base-Backbone interact. energy: -0.688
local terms energy: -188.918043
where:
bonds (distance) C4'-P energy: -44.420
bonds (distance) P-C4' energy: -45.549
flat angles C4'-P-C4' energy: -42.608
flat angles P-C4'-P energy: -35.893
tors. eta vs tors. theta energy: -20.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -399.476413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.476413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.476413 (E_RNA)
where:
Base-Base interactions energy: -214.778
where: short stacking energy: -127.718
Base-Backbone interact. energy: 1.179
local terms energy: -185.877757
where:
bonds (distance) C4'-P energy: -51.619
bonds (distance) P-C4' energy: -59.434
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -12.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1183.943486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.943486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.943486 (E_RNA)
where:
Base-Base interactions energy: -855.084
where: short stacking energy: -344.473
Base-Backbone interact. energy: -0.735
local terms energy: -328.124556
where:
bonds (distance) C4'-P energy: -53.045
bonds (distance) P-C4' energy: -63.258
flat angles C4'-P-C4' energy: -71.015
flat angles P-C4'-P energy: -43.993
tors. eta vs tors. theta energy: -96.814
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1086.007591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.007591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.007591 (E_RNA)
where:
Base-Base interactions energy: -759.687
where: short stacking energy: -329.917
Base-Backbone interact. energy: -4.718
local terms energy: -321.602249
where:
bonds (distance) C4'-P energy: -61.470
bonds (distance) P-C4' energy: -59.437
flat angles C4'-P-C4' energy: -65.904
flat angles P-C4'-P energy: -38.624
tors. eta vs tors. theta energy: -96.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1070.396913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.396913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.396913 (E_RNA)
where:
Base-Base interactions energy: -750.153
where: short stacking energy: -302.548
Base-Backbone interact. energy: -0.750
local terms energy: -319.494649
where:
bonds (distance) C4'-P energy: -65.990
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -46.274
tors. eta vs tors. theta energy: -84.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1044.173304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.173304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.173304 (E_RNA)
where:
Base-Base interactions energy: -740.925
where: short stacking energy: -324.720
Base-Backbone interact. energy: -2.712
local terms energy: -300.536337
where:
bonds (distance) C4'-P energy: -62.442
bonds (distance) P-C4' energy: -44.971
flat angles C4'-P-C4' energy: -58.408
flat angles P-C4'-P energy: -47.662
tors. eta vs tors. theta energy: -87.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -988.088640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.088640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.088640 (E_RNA)
where:
Base-Base interactions energy: -680.068
where: short stacking energy: -288.089
Base-Backbone interact. energy: -0.455
local terms energy: -307.565863
where:
bonds (distance) C4'-P energy: -52.876
bonds (distance) P-C4' energy: -61.512
flat angles C4'-P-C4' energy: -62.750
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -81.550
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: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -866.459898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.459898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.459898 (E_RNA)
where:
Base-Base interactions energy: -593.158
where: short stacking energy: -270.063
Base-Backbone interact. energy: -3.135
local terms energy: -270.167174
where:
bonds (distance) C4'-P energy: -52.962
bonds (distance) P-C4' energy: -48.708
flat angles C4'-P-C4' energy: -63.385
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -61.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -853.981491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.981491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.981491 (E_RNA)
where:
Base-Base interactions energy: -584.561
where: short stacking energy: -259.712
Base-Backbone interact. energy: 0.060
local terms energy: -269.480522
where:
bonds (distance) C4'-P energy: -53.900
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -58.426
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -64.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -658.823573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.823573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.823573 (E_RNA)
where:
Base-Base interactions energy: -433.823
where: short stacking energy: -215.345
Base-Backbone interact. energy: -0.385
local terms energy: -224.615643
where:
bonds (distance) C4'-P energy: -50.005
bonds (distance) P-C4' energy: -50.245
flat angles C4'-P-C4' energy: -43.853
flat angles P-C4'-P energy: -37.976
tors. eta vs tors. theta energy: -42.537
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: 420
Temperature: 1.300000
Total energy: -534.714131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.714131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.714131 (E_RNA)
where:
Base-Base interactions energy: -310.764
where: short stacking energy: -166.581
Base-Backbone interact. energy: -1.649
local terms energy: -222.300985
where:
bonds (distance) C4'-P energy: -43.934
bonds (distance) P-C4' energy: -54.879
flat angles C4'-P-C4' energy: -54.354
flat angles P-C4'-P energy: -35.542
tors. eta vs tors. theta energy: -33.592
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: 4
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -412.661541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.661541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.661541 (E_RNA)
where:
Base-Base interactions energy: -223.083
where: short stacking energy: -120.493
Base-Backbone interact. energy: 0.819
local terms energy: -190.398037
where:
bonds (distance) C4'-P energy: -58.991
bonds (distance) P-C4' energy: -47.129
flat angles C4'-P-C4' energy: -46.919
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -11.959
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: 3
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1167.065528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.065528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.065528 (E_RNA)
where:
Base-Base interactions energy: -835.798
where: short stacking energy: -338.458
Base-Backbone interact. energy: -0.918
local terms energy: -330.348890
where:
bonds (distance) C4'-P energy: -62.721
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -69.471
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -92.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1090.207242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.207242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.207242 (E_RNA)
where:
Base-Base interactions energy: -772.012
where: short stacking energy: -299.983
Base-Backbone interact. energy: -4.150
local terms energy: -314.044979
where:
bonds (distance) C4'-P energy: -58.742
bonds (distance) P-C4' energy: -63.455
flat angles C4'-P-C4' energy: -71.973
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -79.640
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: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1082.938649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.938649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.938649 (E_RNA)
where:
Base-Base interactions energy: -765.965
where: short stacking energy: -327.313
Base-Backbone interact. energy: -1.592
local terms energy: -315.381473
where:
bonds (distance) C4'-P energy: -54.764
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -67.067
flat angles P-C4'-P energy: -49.502
tors. eta vs tors. theta energy: -91.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1031.431382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.431382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.431382 (E_RNA)
where:
Base-Base interactions energy: -726.536
where: short stacking energy: -318.041
Base-Backbone interact. energy: -1.477
local terms energy: -303.418704
where:
bonds (distance) C4'-P energy: -57.387
bonds (distance) P-C4' energy: -52.161
flat angles C4'-P-C4' energy: -67.696
flat angles P-C4'-P energy: -34.857
tors. eta vs tors. theta energy: -91.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -991.962583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.962583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.962583 (E_RNA)
where:
Base-Base interactions energy: -686.976
where: short stacking energy: -316.948
Base-Backbone interact. energy: -1.400
local terms energy: -303.586341
where:
bonds (distance) C4'-P energy: -51.826
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -69.454
flat angles P-C4'-P energy: -39.438
tors. eta vs tors. theta energy: -83.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -877.678692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.678692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.678692 (E_RNA)
where:
Base-Base interactions energy: -617.181
where: short stacking energy: -274.117
Base-Backbone interact. energy: -1.196
local terms energy: -259.301541
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -39.448
flat angles C4'-P-C4' energy: -61.594
flat angles P-C4'-P energy: -39.498
tors. eta vs tors. theta energy: -69.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -865.844854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.844854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.844854 (E_RNA)
where:
Base-Base interactions energy: -590.739
where: short stacking energy: -265.821
Base-Backbone interact. energy: 2.437
local terms energy: -277.542996
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -55.546
flat angles C4'-P-C4' energy: -62.481
flat angles P-C4'-P energy: -43.043
tors. eta vs tors. theta energy: -70.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -673.230305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.230305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.230305 (E_RNA)
where:
Base-Base interactions energy: -435.877
where: short stacking energy: -211.858
Base-Backbone interact. energy: 3.296
local terms energy: -240.649292
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -49.147
flat angles C4'-P-C4' energy: -61.437
flat angles P-C4'-P energy: -35.251
tors. eta vs tors. theta energy: -47.100
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: 421
Temperature: 1.300000
Total energy: -540.415768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.415768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.415768 (E_RNA)
where:
Base-Base interactions energy: -308.145
where: short stacking energy: -156.374
Base-Backbone interact. energy: -1.596
local terms energy: -230.674878
where:
bonds (distance) C4'-P energy: -65.622
bonds (distance) P-C4' energy: -50.261
flat angles C4'-P-C4' energy: -50.661
flat angles P-C4'-P energy: -27.858
tors. eta vs tors. theta energy: -36.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -408.693354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.693354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.693354 (E_RNA)
where:
Base-Base interactions energy: -213.644
where: short stacking energy: -95.829
Base-Backbone interact. energy: -0.162
local terms energy: -194.887866
where:
bonds (distance) C4'-P energy: -47.900
bonds (distance) P-C4' energy: -55.743
flat angles C4'-P-C4' energy: -47.353
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -3.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1164.047364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.047364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.047364 (E_RNA)
where:
Base-Base interactions energy: -829.420
where: short stacking energy: -338.114
Base-Backbone interact. energy: -0.991
local terms energy: -333.636027
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -66.675
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -46.222
tors. eta vs tors. theta energy: -88.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1096.551588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.551588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.551588 (E_RNA)
where:
Base-Base interactions energy: -782.526
where: short stacking energy: -309.693
Base-Backbone interact. energy: -1.846
local terms energy: -312.179182
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -70.006
flat angles P-C4'-P energy: -45.100
tors. eta vs tors. theta energy: -83.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1086.873407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.873407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.873407 (E_RNA)
where:
Base-Base interactions energy: -771.451
where: short stacking energy: -322.694
Base-Backbone interact. energy: -3.125
local terms energy: -312.297627
where:
bonds (distance) C4'-P energy: -57.636
bonds (distance) P-C4' energy: -57.230
flat angles C4'-P-C4' energy: -64.758
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -94.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1010.581513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.581513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.581513 (E_RNA)
where:
Base-Base interactions energy: -689.257
where: short stacking energy: -296.906
Base-Backbone interact. energy: -1.627
local terms energy: -319.697537
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -71.357
flat angles P-C4'-P energy: -44.602
tors. eta vs tors. theta energy: -82.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -993.337807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.337807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.337807 (E_RNA)
where:
Base-Base interactions energy: -692.711
where: short stacking energy: -303.258
Base-Backbone interact. energy: 2.527
local terms energy: -303.153464
where:
bonds (distance) C4'-P energy: -62.244
bonds (distance) P-C4' energy: -52.877
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -45.297
tors. eta vs tors. theta energy: -83.854
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: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -866.782708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.782708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.782708 (E_RNA)
where:
Base-Base interactions energy: -608.106
where: short stacking energy: -270.418
Base-Backbone interact. energy: 0.307
local terms energy: -258.982791
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -57.170
flat angles P-C4'-P energy: -37.284
tors. eta vs tors. theta energy: -63.611
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -819.539814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.539814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.539814 (E_RNA)
where:
Base-Base interactions energy: -566.307
where: short stacking energy: -231.975
Base-Backbone interact. energy: -0.936
local terms energy: -252.297355
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -37.967
flat angles C4'-P-C4' energy: -53.694
flat angles P-C4'-P energy: -46.599
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -674.521671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.521671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.521671 (E_RNA)
where:
Base-Base interactions energy: -427.112
where: short stacking energy: -190.301
Base-Backbone interact. energy: -1.098
local terms energy: -246.312156
where:
bonds (distance) C4'-P energy: -65.223
bonds (distance) P-C4' energy: -46.131
flat angles C4'-P-C4' energy: -55.276
flat angles P-C4'-P energy: -40.698
tors. eta vs tors. theta energy: -38.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -504.899276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.899276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.899276 (E_RNA)
where:
Base-Base interactions energy: -295.712
where: short stacking energy: -153.604
Base-Backbone interact. energy: 3.649
local terms energy: -212.836405
where:
bonds (distance) C4'-P energy: -55.021
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -49.187
flat angles P-C4'-P energy: -34.718
tors. eta vs tors. theta energy: -21.787
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: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -456.865357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.865357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.865357 (E_RNA)
where:
Base-Base interactions energy: -279.318
where: short stacking energy: -118.492
Base-Backbone interact. energy: -0.665
local terms energy: -176.883024
where:
bonds (distance) C4'-P energy: -56.405
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -54.059
flat angles P-C4'-P energy: -28.967
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1169.895347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.895347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.895347 (E_RNA)
where:
Base-Base interactions energy: -834.252
where: short stacking energy: -350.280
Base-Backbone interact. energy: -0.003
local terms energy: -335.639387
where:
bonds (distance) C4'-P energy: -58.761
bonds (distance) P-C4' energy: -67.025
flat angles C4'-P-C4' energy: -66.869
flat angles P-C4'-P energy: -51.467
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: 6
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1109.996431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.996431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.996431 (E_RNA)
where:
Base-Base interactions energy: -779.022
where: short stacking energy: -313.772
Base-Backbone interact. energy: -0.632
local terms energy: -330.342565
where:
bonds (distance) C4'-P energy: -63.301
bonds (distance) P-C4' energy: -70.698
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -40.781
tors. eta vs tors. theta energy: -90.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1071.246232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.246232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.246232 (E_RNA)
where:
Base-Base interactions energy: -781.888
where: short stacking energy: -305.231
Base-Backbone interact. energy: -1.870
local terms energy: -287.488147
where:
bonds (distance) C4'-P energy: -39.678
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -43.132
tors. eta vs tors. theta energy: -85.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1007.957378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.957378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.957378 (E_RNA)
where:
Base-Base interactions energy: -702.410
where: short stacking energy: -302.145
Base-Backbone interact. energy: 1.310
local terms energy: -306.857325
where:
bonds (distance) C4'-P energy: -56.141
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -67.633
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -87.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1023.540549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.540549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.540549 (E_RNA)
where:
Base-Base interactions energy: -703.051
where: short stacking energy: -311.893
Base-Backbone interact. energy: -2.426
local terms energy: -318.063396
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -57.812
flat angles C4'-P-C4' energy: -65.604
flat angles P-C4'-P energy: -53.349
tors. eta vs tors. theta energy: -95.579
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: 6, replica: 9
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -860.921920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.921920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.921920 (E_RNA)
where:
Base-Base interactions energy: -589.221
where: short stacking energy: -253.900
Base-Backbone interact. energy: 3.798
local terms energy: -275.499269
where:
bonds (distance) C4'-P energy: -47.276
bonds (distance) P-C4' energy: -59.029
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -36.114
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -827.938307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.938307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.938307 (E_RNA)
where:
Base-Base interactions energy: -563.333
where: short stacking energy: -235.923
Base-Backbone interact. energy: -0.712
local terms energy: -263.893477
where:
bonds (distance) C4'-P energy: -52.565
bonds (distance) P-C4' energy: -62.576
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -32.104
tors. eta vs tors. theta energy: -64.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -659.425175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.425175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.425175 (E_RNA)
where:
Base-Base interactions energy: -417.792
where: short stacking energy: -181.052
Base-Backbone interact. energy: 1.029
local terms energy: -242.661553
where:
bonds (distance) C4'-P energy: -57.302
bonds (distance) P-C4' energy: -49.713
flat angles C4'-P-C4' energy: -56.674
flat angles P-C4'-P energy: -43.524
tors. eta vs tors. theta energy: -35.449
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: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -532.138514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.138514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.138514 (E_RNA)
where:
Base-Base interactions energy: -333.031
where: short stacking energy: -173.182
Base-Backbone interact. energy: 2.641
local terms energy: -201.749198
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -35.611
flat angles C4'-P-C4' energy: -54.281
flat angles P-C4'-P energy: -29.869
tors. eta vs tors. theta energy: -31.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -525.892640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.892640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.892640 (E_RNA)
where:
Base-Base interactions energy: -322.943
where: short stacking energy: -166.137
Base-Backbone interact. energy: -1.405
local terms energy: -201.544038
where:
bonds (distance) C4'-P energy: -50.835
bonds (distance) P-C4' energy: -30.542
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -40.492
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: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1157.982495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.982495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.982495 (E_RNA)
where:
Base-Base interactions energy: -837.278
where: short stacking energy: -345.016
Base-Backbone interact. energy: -1.948
local terms energy: -318.756606
where:
bonds (distance) C4'-P energy: -53.157
bonds (distance) P-C4' energy: -58.207
flat angles C4'-P-C4' energy: -69.485
flat angles P-C4'-P energy: -45.682
tors. eta vs tors. theta energy: -92.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1105.224099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.224099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.224099 (E_RNA)
where:
Base-Base interactions energy: -764.914
where: short stacking energy: -327.061
Base-Backbone interact. energy: -0.989
local terms energy: -339.320689
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -101.289
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: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1082.868969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.868969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.868969 (E_RNA)
where:
Base-Base interactions energy: -762.436
where: short stacking energy: -316.599
Base-Backbone interact. energy: 2.494
local terms energy: -322.926581
where:
bonds (distance) C4'-P energy: -58.125
bonds (distance) P-C4' energy: -61.528
flat angles C4'-P-C4' energy: -72.641
flat angles P-C4'-P energy: -40.842
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: 4, replica: 1
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1021.830309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.830309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.830309 (E_RNA)
where:
Base-Base interactions energy: -707.031
where: short stacking energy: -308.353
Base-Backbone interact. energy: -0.153
local terms energy: -314.646109
where:
bonds (distance) C4'-P energy: -47.331
bonds (distance) P-C4' energy: -61.137
flat angles C4'-P-C4' energy: -69.597
flat angles P-C4'-P energy: -44.880
tors. eta vs tors. theta energy: -91.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1009.599151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.599151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.599151 (E_RNA)
where:
Base-Base interactions energy: -706.118
where: short stacking energy: -300.903
Base-Backbone interact. energy: -0.947
local terms energy: -302.534294
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -68.369
flat angles P-C4'-P energy: -48.442
tors. eta vs tors. theta energy: -85.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -940.853955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.853955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.853955 (E_RNA)
where:
Base-Base interactions energy: -640.099
where: short stacking energy: -301.149
Base-Backbone interact. energy: 1.040
local terms energy: -301.795113
where:
bonds (distance) C4'-P energy: -52.778
bonds (distance) P-C4' energy: -57.175
flat angles C4'-P-C4' energy: -63.761
flat angles P-C4'-P energy: -45.137
tors. eta vs tors. theta energy: -82.944
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -836.087228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.087228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.087228 (E_RNA)
where:
Base-Base interactions energy: -578.028
where: short stacking energy: -251.853
Base-Backbone interact. energy: -0.051
local terms energy: -258.007603
where:
bonds (distance) C4'-P energy: -46.617
bonds (distance) P-C4' energy: -53.464
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -35.462
tors. eta vs tors. theta energy: -65.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -630.574062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.574062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.574062 (E_RNA)
where:
Base-Base interactions energy: -397.726
where: short stacking energy: -169.532
Base-Backbone interact. energy: -0.702
local terms energy: -232.145530
where:
bonds (distance) C4'-P energy: -48.550
bonds (distance) P-C4' energy: -62.976
flat angles C4'-P-C4' energy: -53.271
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -31.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -579.580378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.580378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.580378 (E_RNA)
where:
Base-Base interactions energy: -360.158
where: short stacking energy: -175.434
Base-Backbone interact. energy: -1.202
local terms energy: -218.220133
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -57.982
flat angles C4'-P-C4' energy: -50.881
flat angles P-C4'-P energy: -32.468
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -514.267720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.267720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.267720 (E_RNA)
where:
Base-Base interactions energy: -328.239
where: short stacking energy: -161.420
Base-Backbone interact. energy: 1.845
local terms energy: -187.874437
where:
bonds (distance) C4'-P energy: -48.499
bonds (distance) P-C4' energy: -44.642
flat angles C4'-P-C4' energy: -44.273
flat angles P-C4'-P energy: -29.792
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1167.667298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.667298 (E_RNA)
where:
Base-Base interactions energy: -826.456
where: short stacking energy: -341.941
Base-Backbone interact. energy: -1.121
local terms energy: -340.090135
where:
bonds (distance) C4'-P energy: -59.931
bonds (distance) P-C4' energy: -68.180
flat angles C4'-P-C4' energy: -77.276
flat angles P-C4'-P energy: -43.599
tors. eta vs tors. theta energy: -91.104
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: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1112.239358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.239358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.239358 (E_RNA)
where:
Base-Base interactions energy: -790.041
where: short stacking energy: -313.223
Base-Backbone interact. energy: 0.137
local terms energy: -322.335446
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -62.307
flat angles C4'-P-C4' energy: -68.073
flat angles P-C4'-P energy: -40.527
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: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1067.602724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.602724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.602724 (E_RNA)
where:
Base-Base interactions energy: -759.976
where: short stacking energy: -316.135
Base-Backbone interact. energy: -3.042
local terms energy: -304.584233
where:
bonds (distance) C4'-P energy: -55.691
bonds (distance) P-C4' energy: -60.175
flat angles C4'-P-C4' energy: -58.361
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -87.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1027.144747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.144747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.144747 (E_RNA)
where:
Base-Base interactions energy: -719.568
where: short stacking energy: -311.761
Base-Backbone interact. energy: -1.207
local terms energy: -306.369616
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -66.243
flat angles P-C4'-P energy: -38.552
tors. eta vs tors. theta energy: -94.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -974.559292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.559292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.559292 (E_RNA)
where:
Base-Base interactions energy: -680.360
where: short stacking energy: -284.376
Base-Backbone interact. energy: -1.165
local terms energy: -293.034804
where:
bonds (distance) C4'-P energy: -62.146
bonds (distance) P-C4' energy: -54.390
flat angles C4'-P-C4' energy: -58.115
flat angles P-C4'-P energy: -43.272
tors. eta vs tors. theta energy: -75.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -863.265845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.265845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.265845 (E_RNA)
where:
Base-Base interactions energy: -584.706
where: short stacking energy: -250.931
Base-Backbone interact. energy: -1.183
local terms energy: -277.377049
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -44.301
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: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -847.900245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.900245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.900245 (E_RNA)
where:
Base-Base interactions energy: -568.455
where: short stacking energy: -256.534
Base-Backbone interact. energy: -0.392
local terms energy: -279.052728
where:
bonds (distance) C4'-P energy: -47.006
bonds (distance) P-C4' energy: -58.281
flat angles C4'-P-C4' energy: -64.206
flat angles P-C4'-P energy: -37.075
tors. eta vs tors. theta energy: -72.485
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: 425
Temperature: 1.250000
Total energy: -639.289733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.289733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.289733 (E_RNA)
where:
Base-Base interactions energy: -415.100
where: short stacking energy: -181.456
Base-Backbone interact. energy: 0.594
local terms energy: -224.784203
where:
bonds (distance) C4'-P energy: -50.145
bonds (distance) P-C4' energy: -47.796
flat angles C4'-P-C4' energy: -55.967
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -35.339
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: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -569.904396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.904396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.904396 (E_RNA)
where:
Base-Base interactions energy: -349.763
where: short stacking energy: -164.701
Base-Backbone interact. energy: -0.158
local terms energy: -219.983590
where:
bonds (distance) C4'-P energy: -46.360
bonds (distance) P-C4' energy: -59.910
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -26.782
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -531.587177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.587177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.587177 (E_RNA)
where:
Base-Base interactions energy: -313.292
where: short stacking energy: -150.570
Base-Backbone interact. energy: -0.664
local terms energy: -217.631266
where:
bonds (distance) C4'-P energy: -44.513
bonds (distance) P-C4' energy: -55.907
flat angles C4'-P-C4' energy: -47.870
flat angles P-C4'-P energy: -37.559
tors. eta vs tors. theta energy: -31.782
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: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1140.558654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.558654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.558654 (E_RNA)
where:
Base-Base interactions energy: -806.347
where: short stacking energy: -332.156
Base-Backbone interact. energy: 0.561
local terms energy: -334.773174
where:
bonds (distance) C4'-P energy: -63.933
bonds (distance) P-C4' energy: -59.124
flat angles C4'-P-C4' energy: -70.941
flat angles P-C4'-P energy: -42.650
tors. eta vs tors. theta energy: -98.125
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1137.583008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.583008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.583008 (E_RNA)
where:
Base-Base interactions energy: -812.269
where: short stacking energy: -334.581
Base-Backbone interact. energy: -0.419
local terms energy: -324.894109
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -65.277
flat angles C4'-P-C4' energy: -65.639
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -89.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1027.860800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.860800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.860800 (E_RNA)
where:
Base-Base interactions energy: -704.420
where: short stacking energy: -302.671
Base-Backbone interact. energy: -0.457
local terms energy: -322.983823
where:
bonds (distance) C4'-P energy: -65.426
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -89.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1063.390916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.390916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.390916 (E_RNA)
where:
Base-Base interactions energy: -759.270
where: short stacking energy: -323.295
Base-Backbone interact. energy: -0.359
local terms energy: -303.761838
where:
bonds (distance) C4'-P energy: -56.117
bonds (distance) P-C4' energy: -54.401
flat angles C4'-P-C4' energy: -64.233
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -90.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -972.066892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.066892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.066892 (E_RNA)
where:
Base-Base interactions energy: -688.156
where: short stacking energy: -285.229
Base-Backbone interact. energy: -1.526
local terms energy: -282.384918
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -49.945
flat angles C4'-P-C4' energy: -63.479
flat angles P-C4'-P energy: -39.823
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -891.579321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.579321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.579321 (E_RNA)
where:
Base-Base interactions energy: -610.278
where: short stacking energy: -252.793
Base-Backbone interact. energy: -1.025
local terms energy: -280.276339
where:
bonds (distance) C4'-P energy: -64.089
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -64.137
flat angles P-C4'-P energy: -34.062
tors. eta vs tors. theta energy: -61.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -805.582969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.582969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.582969 (E_RNA)
where:
Base-Base interactions energy: -577.225
where: short stacking energy: -239.366
Base-Backbone interact. energy: -0.356
local terms energy: -228.002260
where:
bonds (distance) C4'-P energy: -37.197
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -58.598
flat angles P-C4'-P energy: -31.127
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: 8, replica: 8
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -623.995743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.995743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.995743 (E_RNA)
where:
Base-Base interactions energy: -399.807
where: short stacking energy: -169.197
Base-Backbone interact. energy: -1.870
local terms energy: -222.319213
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -62.137
flat angles C4'-P-C4' energy: -57.817
flat angles P-C4'-P energy: -29.700
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: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -517.140288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.140288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.140288 (E_RNA)
where:
Base-Base interactions energy: -296.374
where: short stacking energy: -142.603
Base-Backbone interact. energy: 0.495
local terms energy: -221.262023
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -57.505
flat angles C4'-P-C4' energy: -50.648
flat angles P-C4'-P energy: -37.139
tors. eta vs tors. theta energy: -22.629
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: 10, replica: 4
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -541.547795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.547795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.547795 (E_RNA)
where:
Base-Base interactions energy: -350.353
where: short stacking energy: -151.991
Base-Backbone interact. energy: -0.579
local terms energy: -190.615585
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -37.814
flat angles C4'-P-C4' energy: -44.747
flat angles P-C4'-P energy: -33.839
tors. eta vs tors. theta energy: -29.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1133.407580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.407580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.407580 (E_RNA)
where:
Base-Base interactions energy: -817.632
where: short stacking energy: -330.109
Base-Backbone interact. energy: 1.115
local terms energy: -316.890582
where:
bonds (distance) C4'-P energy: -57.514
bonds (distance) P-C4' energy: -56.265
flat angles C4'-P-C4' energy: -70.308
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -96.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1139.362574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.362574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.362574 (E_RNA)
where:
Base-Base interactions energy: -813.058
where: short stacking energy: -331.047
Base-Backbone interact. energy: -1.034
local terms energy: -325.270037
where:
bonds (distance) C4'-P energy: -67.137
bonds (distance) P-C4' energy: -53.258
flat angles C4'-P-C4' energy: -67.548
flat angles P-C4'-P energy: -46.976
tors. eta vs tors. theta energy: -90.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1046.695903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.695903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.695903 (E_RNA)
where:
Base-Base interactions energy: -728.978
where: short stacking energy: -312.580
Base-Backbone interact. energy: -0.525
local terms energy: -317.192456
where:
bonds (distance) C4'-P energy: -60.309
bonds (distance) P-C4' energy: -63.202
flat angles C4'-P-C4' energy: -70.176
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -84.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1056.699151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.699151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.699151 (E_RNA)
where:
Base-Base interactions energy: -745.800
where: short stacking energy: -327.075
Base-Backbone interact. energy: -2.745
local terms energy: -308.153450
where:
bonds (distance) C4'-P energy: -46.635
bonds (distance) P-C4' energy: -62.757
flat angles C4'-P-C4' energy: -72.094
flat angles P-C4'-P energy: -38.061
tors. eta vs tors. theta energy: -88.607
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -989.914730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.914730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.914730 (E_RNA)
where:
Base-Base interactions energy: -679.473
where: short stacking energy: -303.064
Base-Backbone interact. energy: -1.811
local terms energy: -308.631574
where:
bonds (distance) C4'-P energy: -60.475
bonds (distance) P-C4' energy: -45.965
flat angles C4'-P-C4' energy: -63.668
flat angles P-C4'-P energy: -47.470
tors. eta vs tors. theta energy: -91.054
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: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -892.886842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.886842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.886842 (E_RNA)
where:
Base-Base interactions energy: -646.118
where: short stacking energy: -274.756
Base-Backbone interact. energy: 1.440
local terms energy: -248.208925
where:
bonds (distance) C4'-P energy: -48.574
bonds (distance) P-C4' energy: -45.616
flat angles C4'-P-C4' energy: -62.503
flat angles P-C4'-P energy: -21.534
tors. eta vs tors. theta energy: -69.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -852.904671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.904671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.904671 (E_RNA)
where:
Base-Base interactions energy: -587.193
where: short stacking energy: -259.980
Base-Backbone interact. energy: -1.700
local terms energy: -264.011441
where:
bonds (distance) C4'-P energy: -62.200
bonds (distance) P-C4' energy: -40.722
flat angles C4'-P-C4' energy: -56.351
flat angles P-C4'-P energy: -34.349
tors. eta vs tors. theta energy: -70.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -663.896452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.896452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.896452 (E_RNA)
where:
Base-Base interactions energy: -431.639
where: short stacking energy: -176.199
Base-Backbone interact. energy: -0.795
local terms energy: -231.462348
where:
bonds (distance) C4'-P energy: -46.936
bonds (distance) P-C4' energy: -55.162
flat angles C4'-P-C4' energy: -61.409
flat angles P-C4'-P energy: -37.882
tors. eta vs tors. theta energy: -30.074
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: 427
Temperature: 1.300000
Total energy: -492.923482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.923482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.923482 (E_RNA)
where:
Base-Base interactions energy: -294.234
where: short stacking energy: -141.734
Base-Backbone interact. energy: 4.802
local terms energy: -203.491823
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -55.076
flat angles C4'-P-C4' energy: -41.843
flat angles P-C4'-P energy: -32.558
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -561.892457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.892457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.892457 (E_RNA)
where:
Base-Base interactions energy: -377.790
where: short stacking energy: -174.165
Base-Backbone interact. energy: 1.334
local terms energy: -185.436750
where:
bonds (distance) C4'-P energy: -50.094
bonds (distance) P-C4' energy: -42.581
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -25.421
tors. eta vs tors. theta energy: -16.168
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: 428
Temperature: 0.900000
Total energy: -1147.993147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.993147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.993147 (E_RNA)
where:
Base-Base interactions energy: -815.797
where: short stacking energy: -345.722
Base-Backbone interact. energy: -1.506
local terms energy: -330.690257
where:
bonds (distance) C4'-P energy: -60.061
bonds (distance) P-C4' energy: -63.311
flat angles C4'-P-C4' energy: -73.036
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -88.129
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: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1112.716540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.716540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.716540 (E_RNA)
where:
Base-Base interactions energy: -794.263
where: short stacking energy: -338.368
Base-Backbone interact. energy: 0.146
local terms energy: -318.599226
where:
bonds (distance) C4'-P energy: -52.773
bonds (distance) P-C4' energy: -61.285
flat angles C4'-P-C4' energy: -63.518
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -95.735
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: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1076.641245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.641245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.641245 (E_RNA)
where:
Base-Base interactions energy: -746.691
where: short stacking energy: -315.567
Base-Backbone interact. energy: -0.426
local terms energy: -329.523941
where:
bonds (distance) C4'-P energy: -56.783
bonds (distance) P-C4' energy: -67.829
flat angles C4'-P-C4' energy: -72.303
flat angles P-C4'-P energy: -47.638
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: 428
Temperature: 1.050000
Total energy: -1021.604854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.604854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.604854 (E_RNA)
where:
Base-Base interactions energy: -708.229
where: short stacking energy: -289.318
Base-Backbone interact. energy: -1.279
local terms energy: -312.095955
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -55.954
flat angles C4'-P-C4' energy: -68.897
flat angles P-C4'-P energy: -46.345
tors. eta vs tors. theta energy: -83.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -985.762531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.762531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.762531 (E_RNA)
where:
Base-Base interactions energy: -680.378
where: short stacking energy: -301.606
Base-Backbone interact. energy: -0.835
local terms energy: -304.549776
where:
bonds (distance) C4'-P energy: -50.152
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -67.820
flat angles P-C4'-P energy: -41.867
tors. eta vs tors. theta energy: -85.880
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: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -893.504689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.504689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.504689 (E_RNA)
where:
Base-Base interactions energy: -629.168
where: short stacking energy: -270.939
Base-Backbone interact. energy: -2.945
local terms energy: -261.391845
where:
bonds (distance) C4'-P energy: -41.616
bonds (distance) P-C4' energy: -47.885
flat angles C4'-P-C4' energy: -65.234
flat angles P-C4'-P energy: -35.053
tors. eta vs tors. theta energy: -71.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -841.585787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.585787 (E_RNA)
where:
Base-Base interactions energy: -594.109
where: short stacking energy: -259.249
Base-Backbone interact. energy: -1.900
local terms energy: -245.577082
where:
bonds (distance) C4'-P energy: -44.355
bonds (distance) P-C4' energy: -47.837
flat angles C4'-P-C4' energy: -54.935
flat angles P-C4'-P energy: -30.593
tors. eta vs tors. theta energy: -67.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -653.109681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.109681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.109681 (E_RNA)
where:
Base-Base interactions energy: -436.186
where: short stacking energy: -193.497
Base-Backbone interact. energy: -1.644
local terms energy: -215.279719
where:
bonds (distance) C4'-P energy: -50.837
bonds (distance) P-C4' energy: -37.429
flat angles C4'-P-C4' energy: -58.702
flat angles P-C4'-P energy: -30.522
tors. eta vs tors. theta energy: -37.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -573.249643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.249643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.249643 (E_RNA)
where:
Base-Base interactions energy: -366.417
where: short stacking energy: -179.738
Base-Backbone interact. energy: -0.785
local terms energy: -206.046992
where:
bonds (distance) C4'-P energy: -42.643
bonds (distance) P-C4' energy: -53.732
flat angles C4'-P-C4' energy: -52.030
flat angles P-C4'-P energy: -28.183
tors. eta vs tors. theta energy: -29.458
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: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -476.590670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.590670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.590670 (E_RNA)
where:
Base-Base interactions energy: -305.404
where: short stacking energy: -130.265
Base-Backbone interact. energy: 0.535
local terms energy: -171.721723
where:
bonds (distance) C4'-P energy: -42.923
bonds (distance) P-C4' energy: -56.225
flat angles C4'-P-C4' energy: -41.390
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -14.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1147.867149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.867149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.867149 (E_RNA)
where:
Base-Base interactions energy: -834.130
where: short stacking energy: -333.079
Base-Backbone interact. energy: 0.009
local terms energy: -313.745812
where:
bonds (distance) C4'-P energy: -62.460
bonds (distance) P-C4' energy: -55.272
flat angles C4'-P-C4' energy: -69.880
flat angles P-C4'-P energy: -36.072
tors. eta vs tors. theta energy: -90.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1108.846734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.846734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.846734 (E_RNA)
where:
Base-Base interactions energy: -796.034
where: short stacking energy: -329.025
Base-Backbone interact. energy: -2.187
local terms energy: -310.625045
where:
bonds (distance) C4'-P energy: -59.184
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -69.624
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -93.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1045.419901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.419901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.419901 (E_RNA)
where:
Base-Base interactions energy: -715.325
where: short stacking energy: -323.739
Base-Backbone interact. energy: -0.126
local terms energy: -329.968990
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -67.016
flat angles C4'-P-C4' energy: -63.959
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -99.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1048.546479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.546479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.546479 (E_RNA)
where:
Base-Base interactions energy: -731.284
where: short stacking energy: -305.490
Base-Backbone interact. energy: -1.621
local terms energy: -315.641315
where:
bonds (distance) C4'-P energy: -58.821
bonds (distance) P-C4' energy: -63.482
flat angles C4'-P-C4' energy: -63.513
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -83.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -984.356296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.356296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.356296 (E_RNA)
where:
Base-Base interactions energy: -694.984
where: short stacking energy: -295.632
Base-Backbone interact. energy: -0.965
local terms energy: -288.407431
where:
bonds (distance) C4'-P energy: -60.529
bonds (distance) P-C4' energy: -54.423
flat angles C4'-P-C4' energy: -60.497
flat angles P-C4'-P energy: -23.341
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: 6, replica: 9
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -879.777654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.777654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.777654 (E_RNA)
where:
Base-Base interactions energy: -608.533
where: short stacking energy: -277.201
Base-Backbone interact. energy: 1.586
local terms energy: -272.830660
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -45.607
flat angles C4'-P-C4' energy: -68.138
flat angles P-C4'-P energy: -38.579
tors. eta vs tors. theta energy: -67.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -848.015264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.015264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.015264 (E_RNA)
where:
Base-Base interactions energy: -588.845
where: short stacking energy: -240.974
Base-Backbone interact. energy: -0.469
local terms energy: -258.702075
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -58.978
flat angles C4'-P-C4' energy: -59.887
flat angles P-C4'-P energy: -28.525
tors. eta vs tors. theta energy: -60.351
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: 8
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -677.035257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.035257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.035257 (E_RNA)
where:
Base-Base interactions energy: -457.698
where: short stacking energy: -207.719
Base-Backbone interact. energy: -1.436
local terms energy: -217.901024
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -40.174
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -29.509
tors. eta vs tors. theta energy: -52.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -552.997766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.997766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.997766 (E_RNA)
where:
Base-Base interactions energy: -332.276
where: short stacking energy: -155.151
Base-Backbone interact. energy: -0.627
local terms energy: -220.094809
where:
bonds (distance) C4'-P energy: -50.617
bonds (distance) P-C4' energy: -52.840
flat angles C4'-P-C4' energy: -53.678
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -30.705
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: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -468.893185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.893185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.893185 (E_RNA)
where:
Base-Base interactions energy: -251.454
where: short stacking energy: -116.985
Base-Backbone interact. energy: -2.140
local terms energy: -215.299667
where:
bonds (distance) C4'-P energy: -54.247
bonds (distance) P-C4' energy: -63.502
flat angles C4'-P-C4' energy: -52.165
flat angles P-C4'-P energy: -27.577
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1119.647877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.647877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.647877 (E_RNA)
where:
Base-Base interactions energy: -788.160
where: short stacking energy: -319.184
Base-Backbone interact. energy: -2.751
local terms energy: -328.736936
where:
bonds (distance) C4'-P energy: -57.709
bonds (distance) P-C4' energy: -60.039
flat angles C4'-P-C4' energy: -75.253
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -93.122
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: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1144.272287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.272287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.272287 (E_RNA)
where:
Base-Base interactions energy: -812.218
where: short stacking energy: -328.404
Base-Backbone interact. energy: -0.179
local terms energy: -331.875501
where:
bonds (distance) C4'-P energy: -57.489
bonds (distance) P-C4' energy: -64.568
flat angles C4'-P-C4' energy: -72.477
flat angles P-C4'-P energy: -46.063
tors. eta vs tors. theta energy: -91.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1078.942811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.942811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.942811 (E_RNA)
where:
Base-Base interactions energy: -763.946
where: short stacking energy: -319.490
Base-Backbone interact. energy: -1.940
local terms energy: -313.056779
where:
bonds (distance) C4'-P energy: -60.178
bonds (distance) P-C4' energy: -67.183
flat angles C4'-P-C4' energy: -61.652
flat angles P-C4'-P energy: -38.627
tors. eta vs tors. theta energy: -85.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1012.034657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.034657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.034657 (E_RNA)
where:
Base-Base interactions energy: -728.341
where: short stacking energy: -315.767
Base-Backbone interact. energy: -1.351
local terms energy: -282.343500
where:
bonds (distance) C4'-P energy: -53.582
bonds (distance) P-C4' energy: -48.103
flat angles C4'-P-C4' energy: -60.219
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -87.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1004.669756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.669756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.669756 (E_RNA)
where:
Base-Base interactions energy: -693.803
where: short stacking energy: -296.961
Base-Backbone interact. energy: -1.363
local terms energy: -309.504395
where:
bonds (distance) C4'-P energy: -59.615
bonds (distance) P-C4' energy: -54.608
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -86.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -889.230202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.230202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.230202 (E_RNA)
where:
Base-Base interactions energy: -598.789
where: short stacking energy: -261.653
Base-Backbone interact. energy: -0.492
local terms energy: -289.949792
where:
bonds (distance) C4'-P energy: -62.607
bonds (distance) P-C4' energy: -55.753
flat angles C4'-P-C4' energy: -56.438
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -70.967
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: 430
Temperature: 1.200000
Total energy: -882.821269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.821269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.821269 (E_RNA)
where:
Base-Base interactions energy: -623.009
where: short stacking energy: -269.326
Base-Backbone interact. energy: 4.280
local terms energy: -264.091586
where:
bonds (distance) C4'-P energy: -53.998
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -42.244
tors. eta vs tors. theta energy: -60.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -653.923837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.923837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.923837 (E_RNA)
where:
Base-Base interactions energy: -424.804
where: short stacking energy: -196.378
Base-Backbone interact. energy: 0.399
local terms energy: -229.518912
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -59.024
flat angles C4'-P-C4' energy: -53.475
flat angles P-C4'-P energy: -32.256
tors. eta vs tors. theta energy: -33.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -487.043834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.043834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.043834 (E_RNA)
where:
Base-Base interactions energy: -297.512
where: short stacking energy: -148.852
Base-Backbone interact. energy: -0.488
local terms energy: -189.043589
where:
bonds (distance) C4'-P energy: -35.776
bonds (distance) P-C4' energy: -37.754
flat angles C4'-P-C4' energy: -58.104
flat angles P-C4'-P energy: -32.419
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -512.791805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.791805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.791805 (E_RNA)
where:
Base-Base interactions energy: -312.347
where: short stacking energy: -145.902
Base-Backbone interact. energy: -1.336
local terms energy: -199.108729
where:
bonds (distance) C4'-P energy: -51.059
bonds (distance) P-C4' energy: -45.242
flat angles C4'-P-C4' energy: -42.700
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -26.879
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: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1132.476627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.476627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.476627 (E_RNA)
where:
Base-Base interactions energy: -803.123
where: short stacking energy: -328.023
Base-Backbone interact. energy: -1.742
local terms energy: -327.611507
where:
bonds (distance) C4'-P energy: -59.460
bonds (distance) P-C4' energy: -57.801
flat angles C4'-P-C4' energy: -68.810
flat angles P-C4'-P energy: -49.107
tors. eta vs tors. theta energy: -92.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1126.350619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.350619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.350619 (E_RNA)
where:
Base-Base interactions energy: -816.769
where: short stacking energy: -343.111
Base-Backbone interact. energy: 1.471
local terms energy: -311.052500
where:
bonds (distance) C4'-P energy: -59.683
bonds (distance) P-C4' energy: -53.574
flat angles C4'-P-C4' energy: -66.519
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -93.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1062.474520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.474520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.474520 (E_RNA)
where:
Base-Base interactions energy: -756.607
where: short stacking energy: -312.178
Base-Backbone interact. energy: -0.820
local terms energy: -305.047530
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -63.866
flat angles C4'-P-C4' energy: -67.265
flat angles P-C4'-P energy: -36.002
tors. eta vs tors. theta energy: -82.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1044.930959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.930959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.930959 (E_RNA)
where:
Base-Base interactions energy: -722.300
where: short stacking energy: -319.928
Base-Backbone interact. energy: -0.186
local terms energy: -322.444573
where:
bonds (distance) C4'-P energy: -56.554
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -68.422
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -91.064
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: 431
Temperature: 1.100000
Total energy: -1013.381393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.381393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.381393 (E_RNA)
where:
Base-Base interactions energy: -693.752
where: short stacking energy: -306.400
Base-Backbone interact. energy: -0.186
local terms energy: -319.443507
where:
bonds (distance) C4'-P energy: -64.025
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -66.111
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -90.245
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: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -886.377830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.377830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.377830 (E_RNA)
where:
Base-Base interactions energy: -594.390
where: short stacking energy: -269.759
Base-Backbone interact. energy: 1.050
local terms energy: -293.038053
where:
bonds (distance) C4'-P energy: -58.122
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -69.119
flat angles P-C4'-P energy: -35.442
tors. eta vs tors. theta energy: -69.916
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: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -846.595242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.595242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.595242 (E_RNA)
where:
Base-Base interactions energy: -589.431
where: short stacking energy: -245.758
Base-Backbone interact. energy: 0.986
local terms energy: -258.150684
where:
bonds (distance) C4'-P energy: -48.191
bonds (distance) P-C4' energy: -51.722
flat angles C4'-P-C4' energy: -62.481
flat angles P-C4'-P energy: -30.775
tors. eta vs tors. theta energy: -64.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -652.944562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.944562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.944562 (E_RNA)
where:
Base-Base interactions energy: -442.051
where: short stacking energy: -179.732
Base-Backbone interact. energy: -0.029
local terms energy: -210.864984
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -44.479
flat angles C4'-P-C4' energy: -47.505
flat angles P-C4'-P energy: -36.619
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -488.087607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.087607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.087607 (E_RNA)
where:
Base-Base interactions energy: -271.496
where: short stacking energy: -142.689
Base-Backbone interact. energy: 1.483
local terms energy: -218.074660
where:
bonds (distance) C4'-P energy: -56.017
bonds (distance) P-C4' energy: -57.366
flat angles C4'-P-C4' energy: -48.542
flat angles P-C4'-P energy: -32.844
tors. eta vs tors. theta energy: -23.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -516.014834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.014834 (E_RNA)
where:
Base-Base interactions energy: -310.835
where: short stacking energy: -155.339
Base-Backbone interact. energy: -0.953
local terms energy: -204.226961
where:
bonds (distance) C4'-P energy: -49.139
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -44.795
flat angles P-C4'-P energy: -25.175
tors. eta vs tors. theta energy: -24.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1129.908934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.908934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.908934 (E_RNA)
where:
Base-Base interactions energy: -810.713
where: short stacking energy: -335.249
Base-Backbone interact. energy: -0.798
local terms energy: -318.398574
where:
bonds (distance) C4'-P energy: -55.946
bonds (distance) P-C4' energy: -57.164
flat angles C4'-P-C4' energy: -68.736
flat angles P-C4'-P energy: -45.705
tors. eta vs tors. theta energy: -90.847
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: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1124.692463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.692463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.692463 (E_RNA)
where:
Base-Base interactions energy: -809.695
where: short stacking energy: -322.141
Base-Backbone interact. energy: -1.207
local terms energy: -313.791237
where:
bonds (distance) C4'-P energy: -46.578
bonds (distance) P-C4' energy: -58.811
flat angles C4'-P-C4' energy: -72.417
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -88.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1060.188365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.188365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.188365 (E_RNA)
where:
Base-Base interactions energy: -755.248
where: short stacking energy: -328.237
Base-Backbone interact. energy: 0.841
local terms energy: -305.781969
where:
bonds (distance) C4'-P energy: -59.501
bonds (distance) P-C4' energy: -49.242
flat angles C4'-P-C4' energy: -63.170
flat angles P-C4'-P energy: -43.776
tors. eta vs tors. theta energy: -90.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1055.795903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.795903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.795903 (E_RNA)
where:
Base-Base interactions energy: -747.305
where: short stacking energy: -332.559
Base-Backbone interact. energy: 0.623
local terms energy: -309.114338
where:
bonds (distance) C4'-P energy: -58.098
bonds (distance) P-C4' energy: -49.352
flat angles C4'-P-C4' energy: -64.156
flat angles P-C4'-P energy: -47.260
tors. eta vs tors. theta energy: -90.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -989.251047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.251047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.251047 (E_RNA)
where:
Base-Base interactions energy: -679.579
where: short stacking energy: -289.656
Base-Backbone interact. energy: -0.033
local terms energy: -309.638809
where:
bonds (distance) C4'-P energy: -64.841
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -71.515
flat angles P-C4'-P energy: -39.228
tors. eta vs tors. theta energy: -83.321
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: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -888.298632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.298632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.298632 (E_RNA)
where:
Base-Base interactions energy: -595.987
where: short stacking energy: -265.544
Base-Backbone interact. energy: -0.301
local terms energy: -292.010588
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -68.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -830.927520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.927520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.927520 (E_RNA)
where:
Base-Base interactions energy: -571.823
where: short stacking energy: -236.162
Base-Backbone interact. energy: 2.895
local terms energy: -261.999853
where:
bonds (distance) C4'-P energy: -64.103
bonds (distance) P-C4' energy: -43.170
flat angles C4'-P-C4' energy: -53.517
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -60.099
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: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -716.963112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.963112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.963112 (E_RNA)
where:
Base-Base interactions energy: -473.188
where: short stacking energy: -193.933
Base-Backbone interact. energy: 0.584
local terms energy: -244.359674
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -34.619
tors. eta vs tors. theta energy: -37.249
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: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -528.619498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.619498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.619498 (E_RNA)
where:
Base-Base interactions energy: -340.760
where: short stacking energy: -142.258
Base-Backbone interact. energy: 1.252
local terms energy: -189.111533
where:
bonds (distance) C4'-P energy: -45.710
bonds (distance) P-C4' energy: -55.762
flat angles C4'-P-C4' energy: -42.701
flat angles P-C4'-P energy: -24.522
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: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -412.504511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.504511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.504511 (E_RNA)
where:
Base-Base interactions energy: -244.563
where: short stacking energy: -116.144
Base-Backbone interact. energy: 0.319
local terms energy: -168.260440
where:
bonds (distance) C4'-P energy: -55.550
bonds (distance) P-C4' energy: -41.428
flat angles C4'-P-C4' energy: -44.245
flat angles P-C4'-P energy: -25.021
tors. eta vs tors. theta energy: -2.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1125.675068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.675068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.675068 (E_RNA)
where:
Base-Base interactions energy: -787.297
where: short stacking energy: -329.912
Base-Backbone interact. energy: -1.416
local terms energy: -336.962135
where:
bonds (distance) C4'-P energy: -60.226
bonds (distance) P-C4' energy: -61.748
flat angles C4'-P-C4' energy: -66.615
flat angles P-C4'-P energy: -49.290
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: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1123.653813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.653813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.653813 (E_RNA)
where:
Base-Base interactions energy: -801.072
where: short stacking energy: -320.715
Base-Backbone interact. energy: -0.339
local terms energy: -322.242959
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -59.627
flat angles C4'-P-C4' energy: -63.281
flat angles P-C4'-P energy: -49.516
tors. eta vs tors. theta energy: -91.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1054.523974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.523974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.523974 (E_RNA)
where:
Base-Base interactions energy: -733.051
where: short stacking energy: -317.561
Base-Backbone interact. energy: -2.358
local terms energy: -319.115523
where:
bonds (distance) C4'-P energy: -63.445
bonds (distance) P-C4' energy: -64.412
flat angles C4'-P-C4' energy: -57.916
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -90.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1024.652696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.652696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.652696 (E_RNA)
where:
Base-Base interactions energy: -709.368
where: short stacking energy: -298.004
Base-Backbone interact. energy: -1.105
local terms energy: -314.179195
where:
bonds (distance) C4'-P energy: -61.283
bonds (distance) P-C4' energy: -59.193
flat angles C4'-P-C4' energy: -68.989
flat angles P-C4'-P energy: -35.821
tors. eta vs tors. theta energy: -88.893
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: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -991.953996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.953996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.953996 (E_RNA)
where:
Base-Base interactions energy: -680.219
where: short stacking energy: -291.384
Base-Backbone interact. energy: -0.862
local terms energy: -310.872756
where:
bonds (distance) C4'-P energy: -57.932
bonds (distance) P-C4' energy: -62.120
flat angles C4'-P-C4' energy: -60.579
flat angles P-C4'-P energy: -44.267
tors. eta vs tors. theta energy: -85.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -890.018440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.018440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.018440 (E_RNA)
where:
Base-Base interactions energy: -603.958
where: short stacking energy: -272.097
Base-Backbone interact. energy: -0.899
local terms energy: -285.161052
where:
bonds (distance) C4'-P energy: -56.455
bonds (distance) P-C4' energy: -56.764
flat angles C4'-P-C4' energy: -62.201
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -72.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -899.571784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.571784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.571784 (E_RNA)
where:
Base-Base interactions energy: -633.765
where: short stacking energy: -272.728
Base-Backbone interact. energy: -1.826
local terms energy: -263.980837
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -50.174
flat angles C4'-P-C4' energy: -61.444
flat angles P-C4'-P energy: -36.540
tors. eta vs tors. theta energy: -67.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -691.635339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.635339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.635339 (E_RNA)
where:
Base-Base interactions energy: -471.171
where: short stacking energy: -209.043
Base-Backbone interact. energy: -2.854
local terms energy: -217.610085
where:
bonds (distance) C4'-P energy: -47.386
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -34.680
flat angles P-C4'-P energy: -34.826
tors. eta vs tors. theta energy: -46.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -540.605282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.605282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.605282 (E_RNA)
where:
Base-Base interactions energy: -321.906
where: short stacking energy: -160.452
Base-Backbone interact. energy: -1.769
local terms energy: -216.930379
where:
bonds (distance) C4'-P energy: -53.265
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -31.796
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -405.064866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.064866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.064866 (E_RNA)
where:
Base-Base interactions energy: -228.761
where: short stacking energy: -134.567
Base-Backbone interact. energy: -0.666
local terms energy: -175.637424
where:
bonds (distance) C4'-P energy: -45.930
bonds (distance) P-C4' energy: -42.555
flat angles C4'-P-C4' energy: -37.162
flat angles P-C4'-P energy: -38.610
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: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1129.335974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.335974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.335974 (E_RNA)
where:
Base-Base interactions energy: -819.303
where: short stacking energy: -329.949
Base-Backbone interact. energy: 2.031
local terms energy: -312.063901
where:
bonds (distance) C4'-P energy: -57.399
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -65.999
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -92.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1110.139553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.139553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.139553 (E_RNA)
where:
Base-Base interactions energy: -787.351
where: short stacking energy: -336.861
Base-Backbone interact. energy: -1.516
local terms energy: -321.273295
where:
bonds (distance) C4'-P energy: -51.319
bonds (distance) P-C4' energy: -59.577
flat angles C4'-P-C4' energy: -68.332
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -100.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1055.487032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.487032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.487032 (E_RNA)
where:
Base-Base interactions energy: -741.534
where: short stacking energy: -322.033
Base-Backbone interact. energy: -1.933
local terms energy: -312.020601
where:
bonds (distance) C4'-P energy: -58.469
bonds (distance) P-C4' energy: -57.899
flat angles C4'-P-C4' energy: -66.480
flat angles P-C4'-P energy: -43.671
tors. eta vs tors. theta energy: -85.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1022.332937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.332937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.332937 (E_RNA)
where:
Base-Base interactions energy: -717.780
where: short stacking energy: -307.990
Base-Backbone interact. energy: -2.324
local terms energy: -302.228638
where:
bonds (distance) C4'-P energy: -48.978
bonds (distance) P-C4' energy: -65.923
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -83.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -977.105088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.105088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.105088 (E_RNA)
where:
Base-Base interactions energy: -685.970
where: short stacking energy: -286.340
Base-Backbone interact. energy: -0.588
local terms energy: -290.546802
where:
bonds (distance) C4'-P energy: -47.703
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -62.246
flat angles P-C4'-P energy: -33.869
tors. eta vs tors. theta energy: -84.194
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: 9
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -904.468498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.468498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.468498 (E_RNA)
where:
Base-Base interactions energy: -607.652
where: short stacking energy: -272.841
Base-Backbone interact. energy: 0.155
local terms energy: -296.972304
where:
bonds (distance) C4'-P energy: -55.047
bonds (distance) P-C4' energy: -58.057
flat angles C4'-P-C4' energy: -61.556
flat angles P-C4'-P energy: -48.686
tors. eta vs tors. theta energy: -73.626
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: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -883.401411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.401411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.401411 (E_RNA)
where:
Base-Base interactions energy: -605.169
where: short stacking energy: -249.209
Base-Backbone interact. energy: -0.938
local terms energy: -277.294906
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -57.891
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -42.749
tors. eta vs tors. theta energy: -63.505
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: 8
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -698.241503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.241503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.241503 (E_RNA)
where:
Base-Base interactions energy: -471.796
where: short stacking energy: -197.660
Base-Backbone interact. energy: -0.327
local terms energy: -226.118052
where:
bonds (distance) C4'-P energy: -46.155
bonds (distance) P-C4' energy: -67.741
flat angles C4'-P-C4' energy: -52.741
flat angles P-C4'-P energy: -25.163
tors. eta vs tors. theta energy: -34.317
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: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -602.271497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.271497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.271497 (E_RNA)
where:
Base-Base interactions energy: -382.371
where: short stacking energy: -176.309
Base-Backbone interact. energy: 0.990
local terms energy: -220.889907
where:
bonds (distance) C4'-P energy: -51.779
bonds (distance) P-C4' energy: -56.314
flat angles C4'-P-C4' energy: -56.229
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: -26.923
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: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -401.951858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.951858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.951858 (E_RNA)
where:
Base-Base interactions energy: -228.934
where: short stacking energy: -127.742
Base-Backbone interact. energy: -0.611
local terms energy: -172.407355
where:
bonds (distance) C4'-P energy: -45.744
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -40.882
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1161.901956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.901956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.901956 (E_RNA)
where:
Base-Base interactions energy: -832.893
where: short stacking energy: -331.582
Base-Backbone interact. energy: 0.687
local terms energy: -329.696097
where:
bonds (distance) C4'-P energy: -63.462
bonds (distance) P-C4' energy: -59.200
flat angles C4'-P-C4' energy: -70.073
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -90.847
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: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1074.312821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.312821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.312821 (E_RNA)
where:
Base-Base interactions energy: -749.843
where: short stacking energy: -325.325
Base-Backbone interact. energy: -1.368
local terms energy: -323.101604
where:
bonds (distance) C4'-P energy: -54.491
bonds (distance) P-C4' energy: -61.959
flat angles C4'-P-C4' energy: -67.669
flat angles P-C4'-P energy: -51.447
tors. eta vs tors. theta energy: -87.536
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: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1055.118732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.118732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.118732 (E_RNA)
where:
Base-Base interactions energy: -735.232
where: short stacking energy: -306.701
Base-Backbone interact. energy: -2.958
local terms energy: -316.928232
where:
bonds (distance) C4'-P energy: -51.622
bonds (distance) P-C4' energy: -62.361
flat angles C4'-P-C4' energy: -64.933
flat angles P-C4'-P energy: -48.645
tors. eta vs tors. theta energy: -89.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -997.115241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.115241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.115241 (E_RNA)
where:
Base-Base interactions energy: -704.781
where: short stacking energy: -296.504
Base-Backbone interact. energy: -2.509
local terms energy: -289.825240
where:
bonds (distance) C4'-P energy: -42.926
bonds (distance) P-C4' energy: -52.059
flat angles C4'-P-C4' energy: -66.172
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -87.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -977.603810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.603810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.603810 (E_RNA)
where:
Base-Base interactions energy: -653.316
where: short stacking energy: -284.754
Base-Backbone interact. energy: -0.715
local terms energy: -323.573114
where:
bonds (distance) C4'-P energy: -58.572
bonds (distance) P-C4' energy: -65.476
flat angles C4'-P-C4' energy: -68.078
flat angles P-C4'-P energy: -48.839
tors. eta vs tors. theta energy: -82.607
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: 9
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -888.159305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.159305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.159305 (E_RNA)
where:
Base-Base interactions energy: -608.139
where: short stacking energy: -271.782
Base-Backbone interact. energy: -0.826
local terms energy: -279.193966
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -62.904
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: -74.318
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: 435
Temperature: 1.200000
Total energy: -861.367251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.367251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.367251 (E_RNA)
where:
Base-Base interactions energy: -573.855
where: short stacking energy: -245.902
Base-Backbone interact. energy: -1.198
local terms energy: -286.314384
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -60.641
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -68.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -696.585788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.585788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.585788 (E_RNA)
where:
Base-Base interactions energy: -479.807
where: short stacking energy: -217.248
Base-Backbone interact. energy: -1.043
local terms energy: -215.736190
where:
bonds (distance) C4'-P energy: -43.308
bonds (distance) P-C4' energy: -40.898
flat angles C4'-P-C4' energy: -44.295
flat angles P-C4'-P energy: -43.873
tors. eta vs tors. theta energy: -43.362
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -553.781301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.781301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.781301 (E_RNA)
where:
Base-Base interactions energy: -341.506
where: short stacking energy: -160.411
Base-Backbone interact. energy: 1.151
local terms energy: -213.426358
where:
bonds (distance) C4'-P energy: -45.713
bonds (distance) P-C4' energy: -55.690
flat angles C4'-P-C4' energy: -45.716
flat angles P-C4'-P energy: -41.015
tors. eta vs tors. theta energy: -25.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -436.482832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.482832 (E_RNA)
where:
Base-Base interactions energy: -234.526
where: short stacking energy: -126.718
Base-Backbone interact. energy: 2.013
local terms energy: -203.970169
where:
bonds (distance) C4'-P energy: -43.590
bonds (distance) P-C4' energy: -55.180
flat angles C4'-P-C4' energy: -51.869
flat angles P-C4'-P energy: -33.429
tors. eta vs tors. theta energy: -19.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1151.112419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.112419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.112419 (E_RNA)
where:
Base-Base interactions energy: -820.077
where: short stacking energy: -327.959
Base-Backbone interact. energy: -1.954
local terms energy: -329.080611
where:
bonds (distance) C4'-P energy: -59.203
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -66.725
flat angles P-C4'-P energy: -44.000
tors. eta vs tors. theta energy: -90.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1080.592797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.592797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.592797 (E_RNA)
where:
Base-Base interactions energy: -771.383
where: short stacking energy: -324.384
Base-Backbone interact. energy: -2.146
local terms energy: -307.064137
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -58.828
flat angles C4'-P-C4' energy: -68.078
flat angles P-C4'-P energy: -31.095
tors. eta vs tors. theta energy: -86.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1081.902322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.902322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.902322 (E_RNA)
where:
Base-Base interactions energy: -766.606
where: short stacking energy: -303.901
Base-Backbone interact. energy: 1.783
local terms energy: -317.078499
where:
bonds (distance) C4'-P energy: -60.187
bonds (distance) P-C4' energy: -65.623
flat angles C4'-P-C4' energy: -62.988
flat angles P-C4'-P energy: -38.650
tors. eta vs tors. theta energy: -89.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1011.818373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.818373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.818373 (E_RNA)
where:
Base-Base interactions energy: -699.884
where: short stacking energy: -323.493
Base-Backbone interact. energy: 1.147
local terms energy: -313.081528
where:
bonds (distance) C4'-P energy: -51.464
bonds (distance) P-C4' energy: -57.758
flat angles C4'-P-C4' energy: -65.095
flat angles P-C4'-P energy: -50.591
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: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -980.533624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.533624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.533624 (E_RNA)
where:
Base-Base interactions energy: -680.208
where: short stacking energy: -289.678
Base-Backbone interact. energy: -1.205
local terms energy: -299.120769
where:
bonds (distance) C4'-P energy: -49.361
bonds (distance) P-C4' energy: -58.603
flat angles C4'-P-C4' energy: -65.283
flat angles P-C4'-P energy: -38.333
tors. eta vs tors. theta energy: -87.542
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: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -876.673591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.673591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.673591 (E_RNA)
where:
Base-Base interactions energy: -589.758
where: short stacking energy: -260.789
Base-Backbone interact. energy: -0.586
local terms energy: -286.329308
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -55.034
flat angles C4'-P-C4' energy: -54.415
flat angles P-C4'-P energy: -48.206
tors. eta vs tors. theta energy: -71.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -858.897405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.897405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.897405 (E_RNA)
where:
Base-Base interactions energy: -603.822
where: short stacking energy: -261.728
Base-Backbone interact. energy: -1.379
local terms energy: -253.696332
where:
bonds (distance) C4'-P energy: -39.782
bonds (distance) P-C4' energy: -62.133
flat angles C4'-P-C4' energy: -58.013
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -64.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -689.329030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.329030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.329030 (E_RNA)
where:
Base-Base interactions energy: -446.576
where: short stacking energy: -198.981
Base-Backbone interact. energy: -2.314
local terms energy: -240.438482
where:
bonds (distance) C4'-P energy: -49.247
bonds (distance) P-C4' energy: -51.285
flat angles C4'-P-C4' energy: -52.967
flat angles P-C4'-P energy: -44.516
tors. eta vs tors. theta energy: -42.423
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -556.379431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.379431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.379431 (E_RNA)
where:
Base-Base interactions energy: -337.423
where: short stacking energy: -169.954
Base-Backbone interact. energy: 0.830
local terms energy: -219.786479
where:
bonds (distance) C4'-P energy: -57.334
bonds (distance) P-C4' energy: -61.496
flat angles C4'-P-C4' energy: -51.027
flat angles P-C4'-P energy: -26.266
tors. eta vs tors. theta energy: -23.664
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: 436
Temperature: 1.350000
Total energy: -420.980573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.980573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.980573 (E_RNA)
where:
Base-Base interactions energy: -247.914
where: short stacking energy: -143.535
Base-Backbone interact. energy: 4.205
local terms energy: -177.271616
where:
bonds (distance) C4'-P energy: -51.654
bonds (distance) P-C4' energy: -41.213
flat angles C4'-P-C4' energy: -48.943
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1170.562996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.562996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.562996 (E_RNA)
where:
Base-Base interactions energy: -845.844
where: short stacking energy: -339.425
Base-Backbone interact. energy: -2.173
local terms energy: -322.546742
where:
bonds (distance) C4'-P energy: -63.501
bonds (distance) P-C4' energy: -57.638
flat angles C4'-P-C4' energy: -65.197
flat angles P-C4'-P energy: -44.446
tors. eta vs tors. theta energy: -91.764
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: 437
Temperature: 0.950000
Total energy: -1064.986324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.986324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.986324 (E_RNA)
where:
Base-Base interactions energy: -732.731
where: short stacking energy: -318.905
Base-Backbone interact. energy: -1.435
local terms energy: -330.821025
where:
bonds (distance) C4'-P energy: -62.444
bonds (distance) P-C4' energy: -54.164
flat angles C4'-P-C4' energy: -73.636
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -92.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1089.970782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.970782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.970782 (E_RNA)
where:
Base-Base interactions energy: -764.704
where: short stacking energy: -312.961
Base-Backbone interact. energy: -1.394
local terms energy: -323.873052
where:
bonds (distance) C4'-P energy: -55.259
bonds (distance) P-C4' energy: -61.535
flat angles C4'-P-C4' energy: -70.991
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -94.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1001.461825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.461825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.461825 (E_RNA)
where:
Base-Base interactions energy: -703.028
where: short stacking energy: -313.307
Base-Backbone interact. energy: -0.618
local terms energy: -297.816593
where:
bonds (distance) C4'-P energy: -50.179
bonds (distance) P-C4' energy: -50.855
flat angles C4'-P-C4' energy: -65.140
flat angles P-C4'-P energy: -38.968
tors. eta vs tors. theta energy: -92.675
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: 437
Temperature: 1.100000
Total energy: -985.149462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.149462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.149462 (E_RNA)
where:
Base-Base interactions energy: -692.897
where: short stacking energy: -313.509
Base-Backbone interact. energy: -2.734
local terms energy: -289.518152
where:
bonds (distance) C4'-P energy: -47.393
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -60.574
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -93.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -893.300920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.300920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.300920 (E_RNA)
where:
Base-Base interactions energy: -616.820
where: short stacking energy: -257.937
Base-Backbone interact. energy: -0.644
local terms energy: -275.836468
where:
bonds (distance) C4'-P energy: -46.388
bonds (distance) P-C4' energy: -60.049
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -69.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -880.284486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.284486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.284486 (E_RNA)
where:
Base-Base interactions energy: -601.794
where: short stacking energy: -271.036
Base-Backbone interact. energy: -1.156
local terms energy: -277.334063
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -65.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -702.274744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.274744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.274744 (E_RNA)
where:
Base-Base interactions energy: -471.626
where: short stacking energy: -195.561
Base-Backbone interact. energy: -1.306
local terms energy: -229.342182
where:
bonds (distance) C4'-P energy: -51.842
bonds (distance) P-C4' energy: -56.445
flat angles C4'-P-C4' energy: -53.871
flat angles P-C4'-P energy: -28.282
tors. eta vs tors. theta energy: -38.903
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: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -544.312925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.312925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.312925 (E_RNA)
where:
Base-Base interactions energy: -331.165
where: short stacking energy: -152.933
Base-Backbone interact. energy: 0.632
local terms energy: -213.780108
where:
bonds (distance) C4'-P energy: -54.090
bonds (distance) P-C4' energy: -52.097
flat angles C4'-P-C4' energy: -54.077
flat angles P-C4'-P energy: -25.086
tors. eta vs tors. theta energy: -28.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -412.344235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.344235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.344235 (E_RNA)
where:
Base-Base interactions energy: -231.367
where: short stacking energy: -128.134
Base-Backbone interact. energy: -0.318
local terms energy: -180.659976
where:
bonds (distance) C4'-P energy: -46.856
bonds (distance) P-C4' energy: -41.287
flat angles C4'-P-C4' energy: -47.466
flat angles P-C4'-P energy: -30.087
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1177.955149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.955149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.955149 (E_RNA)
where:
Base-Base interactions energy: -848.351
where: short stacking energy: -343.506
Base-Backbone interact. energy: -1.431
local terms energy: -328.173052
where:
bonds (distance) C4'-P energy: -55.436
bonds (distance) P-C4' energy: -62.188
flat angles C4'-P-C4' energy: -76.283
flat angles P-C4'-P energy: -45.832
tors. eta vs tors. theta energy: -88.433
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: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1073.947717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.947717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.947717 (E_RNA)
where:
Base-Base interactions energy: -748.564
where: short stacking energy: -322.439
Base-Backbone interact. energy: 1.867
local terms energy: -327.251459
where:
bonds (distance) C4'-P energy: -65.434
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -69.194
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -86.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1072.653332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.653332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.653332 (E_RNA)
where:
Base-Base interactions energy: -764.313
where: short stacking energy: -313.374
Base-Backbone interact. energy: 0.187
local terms energy: -308.527335
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -60.795
flat angles C4'-P-C4' energy: -60.281
flat angles P-C4'-P energy: -43.751
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: 4, replica: 1
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1000.293946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.293946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.293946 (E_RNA)
where:
Base-Base interactions energy: -704.847
where: short stacking energy: -303.003
Base-Backbone interact. energy: 0.684
local terms energy: -296.131385
where:
bonds (distance) C4'-P energy: -48.545
bonds (distance) P-C4' energy: -57.657
flat angles C4'-P-C4' energy: -63.790
flat angles P-C4'-P energy: -40.782
tors. eta vs tors. theta energy: -85.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1002.360499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.360499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.360499 (E_RNA)
where:
Base-Base interactions energy: -689.601
where: short stacking energy: -310.377
Base-Backbone interact. energy: 3.199
local terms energy: -315.958812
where:
bonds (distance) C4'-P energy: -58.553
bonds (distance) P-C4' energy: -59.652
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -46.299
tors. eta vs tors. theta energy: -91.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -898.421793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.421793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.421793 (E_RNA)
where:
Base-Base interactions energy: -629.977
where: short stacking energy: -272.986
Base-Backbone interact. energy: 0.733
local terms energy: -269.178182
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -59.827
flat angles P-C4'-P energy: -40.621
tors. eta vs tors. theta energy: -68.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -846.240737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.240737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.240737 (E_RNA)
where:
Base-Base interactions energy: -581.326
where: short stacking energy: -252.579
Base-Backbone interact. energy: -1.205
local terms energy: -263.710397
where:
bonds (distance) C4'-P energy: -51.403
bonds (distance) P-C4' energy: -64.827
flat angles C4'-P-C4' energy: -55.147
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: -70.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -701.311010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.311010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.311010 (E_RNA)
where:
Base-Base interactions energy: -477.147
where: short stacking energy: -201.896
Base-Backbone interact. energy: 1.459
local terms energy: -225.623038
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -46.568
flat angles C4'-P-C4' energy: -58.519
flat angles P-C4'-P energy: -24.275
tors. eta vs tors. theta energy: -45.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -562.806193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.806193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.806193 (E_RNA)
where:
Base-Base interactions energy: -352.546
where: short stacking energy: -156.759
Base-Backbone interact. energy: -1.860
local terms energy: -208.400096
where:
bonds (distance) C4'-P energy: -46.099
bonds (distance) P-C4' energy: -52.706
flat angles C4'-P-C4' energy: -55.717
flat angles P-C4'-P energy: -23.518
tors. eta vs tors. theta energy: -30.361
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: 438
Temperature: 1.350000
Total energy: -415.616509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.616509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.616509 (E_RNA)
where:
Base-Base interactions energy: -234.717
where: short stacking energy: -130.999
Base-Backbone interact. energy: 3.107
local terms energy: -184.006792
where:
bonds (distance) C4'-P energy: -45.775
bonds (distance) P-C4' energy: -43.355
flat angles C4'-P-C4' energy: -53.302
flat angles P-C4'-P energy: -26.964
tors. eta vs tors. theta energy: -14.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1174.101757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.101757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.101757 (E_RNA)
where:
Base-Base interactions energy: -831.821
where: short stacking energy: -332.396
Base-Backbone interact. energy: -2.269
local terms energy: -340.011028
where:
bonds (distance) C4'-P energy: -62.559
bonds (distance) P-C4' energy: -69.809
flat angles C4'-P-C4' energy: -68.328
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -93.350
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: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1100.989217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.989217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.989217 (E_RNA)
where:
Base-Base interactions energy: -766.371
where: short stacking energy: -332.032
Base-Backbone interact. energy: -0.551
local terms energy: -334.067041
where:
bonds (distance) C4'-P energy: -62.396
bonds (distance) P-C4' energy: -61.082
flat angles C4'-P-C4' energy: -66.607
flat angles P-C4'-P energy: -45.470
tors. eta vs tors. theta energy: -98.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1083.848724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.848724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.848724 (E_RNA)
where:
Base-Base interactions energy: -762.154
where: short stacking energy: -303.563
Base-Backbone interact. energy: -0.196
local terms energy: -321.498305
where:
bonds (distance) C4'-P energy: -56.778
bonds (distance) P-C4' energy: -55.599
flat angles C4'-P-C4' energy: -68.769
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -95.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1017.895375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.895375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.895375 (E_RNA)
where:
Base-Base interactions energy: -705.226
where: short stacking energy: -306.416
Base-Backbone interact. energy: 1.701
local terms energy: -314.370921
where:
bonds (distance) C4'-P energy: -60.244
bonds (distance) P-C4' energy: -49.711
flat angles C4'-P-C4' energy: -71.469
flat angles P-C4'-P energy: -41.389
tors. eta vs tors. theta energy: -91.558
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: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -995.100967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.100967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.100967 (E_RNA)
where:
Base-Base interactions energy: -681.198
where: short stacking energy: -285.131
Base-Backbone interact. energy: 0.062
local terms energy: -313.964788
where:
bonds (distance) C4'-P energy: -52.290
bonds (distance) P-C4' energy: -58.197
flat angles C4'-P-C4' energy: -73.938
flat angles P-C4'-P energy: -48.449
tors. eta vs tors. theta energy: -81.091
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: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -897.564578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.564578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.564578 (E_RNA)
where:
Base-Base interactions energy: -633.675
where: short stacking energy: -263.837
Base-Backbone interact. energy: -0.087
local terms energy: -263.803097
where:
bonds (distance) C4'-P energy: -40.277
bonds (distance) P-C4' energy: -62.097
flat angles C4'-P-C4' energy: -56.735
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -69.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -835.454715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.454715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.454715 (E_RNA)
where:
Base-Base interactions energy: -569.741
where: short stacking energy: -244.811
Base-Backbone interact. energy: 0.278
local terms energy: -265.992150
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -57.103
flat angles C4'-P-C4' energy: -58.419
flat angles P-C4'-P energy: -36.725
tors. eta vs tors. theta energy: -58.818
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: 8, replica: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -699.257958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.257958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.257958 (E_RNA)
where:
Base-Base interactions energy: -469.603
where: short stacking energy: -200.401
Base-Backbone interact. energy: 0.286
local terms energy: -229.941388
where:
bonds (distance) C4'-P energy: -45.735
bonds (distance) P-C4' energy: -57.062
flat angles C4'-P-C4' energy: -51.070
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -528.930316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.930316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.930316 (E_RNA)
where:
Base-Base interactions energy: -313.998
where: short stacking energy: -150.626
Base-Backbone interact. energy: -0.607
local terms energy: -214.325613
where:
bonds (distance) C4'-P energy: -53.949
bonds (distance) P-C4' energy: -53.599
flat angles C4'-P-C4' energy: -54.304
flat angles P-C4'-P energy: -38.263
tors. eta vs tors. theta energy: -14.211
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: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -436.336265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.336265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.336265 (E_RNA)
where:
Base-Base interactions energy: -226.038
where: short stacking energy: -136.663
Base-Backbone interact. energy: -1.037
local terms energy: -209.261391
where:
bonds (distance) C4'-P energy: -41.753
bonds (distance) P-C4' energy: -55.931
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -34.772
tors. eta vs tors. theta energy: -15.408
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: 3
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1152.768085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.768085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.768085 (E_RNA)
where:
Base-Base interactions energy: -826.819
where: short stacking energy: -341.288
Base-Backbone interact. energy: 0.480
local terms energy: -326.429391
where:
bonds (distance) C4'-P energy: -62.335
bonds (distance) P-C4' energy: -61.115
flat angles C4'-P-C4' energy: -70.078
flat angles P-C4'-P energy: -45.374
tors. eta vs tors. theta energy: -87.527
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: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1087.520877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.520877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.520877 (E_RNA)
where:
Base-Base interactions energy: -763.907
where: short stacking energy: -346.385
Base-Backbone interact. energy: -2.103
local terms energy: -321.510847
where:
bonds (distance) C4'-P energy: -50.291
bonds (distance) P-C4' energy: -66.599
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -37.262
tors. eta vs tors. theta energy: -100.614
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: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1078.097183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.097183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.097183 (E_RNA)
where:
Base-Base interactions energy: -765.932
where: short stacking energy: -310.299
Base-Backbone interact. energy: -0.944
local terms energy: -311.220755
where:
bonds (distance) C4'-P energy: -54.570
bonds (distance) P-C4' energy: -59.436
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -37.460
tors. eta vs tors. theta energy: -92.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1020.424326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.424326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.424326 (E_RNA)
where:
Base-Base interactions energy: -709.927
where: short stacking energy: -311.524
Base-Backbone interact. energy: 1.770
local terms energy: -312.267414
where:
bonds (distance) C4'-P energy: -60.787
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -67.813
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -88.819
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: 1
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -982.853874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.853874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.853874 (E_RNA)
where:
Base-Base interactions energy: -697.102
where: short stacking energy: -289.750
Base-Backbone interact. energy: -0.206
local terms energy: -285.546052
where:
bonds (distance) C4'-P energy: -48.218
bonds (distance) P-C4' energy: -51.045
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -34.668
tors. eta vs tors. theta energy: -83.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -874.507562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.507562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.507562 (E_RNA)
where:
Base-Base interactions energy: -591.528
where: short stacking energy: -261.442
Base-Backbone interact. energy: -0.463
local terms energy: -282.516259
where:
bonds (distance) C4'-P energy: -62.247
bonds (distance) P-C4' energy: -57.708
flat angles C4'-P-C4' energy: -54.267
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: -70.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -812.455819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.455819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.455819 (E_RNA)
where:
Base-Base interactions energy: -550.830
where: short stacking energy: -233.860
Base-Backbone interact. energy: -1.837
local terms energy: -259.788385
where:
bonds (distance) C4'-P energy: -53.505
bonds (distance) P-C4' energy: -56.735
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -59.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -709.724931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.724931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.724931 (E_RNA)
where:
Base-Base interactions energy: -470.997
where: short stacking energy: -214.418
Base-Backbone interact. energy: 0.303
local terms energy: -239.031122
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -54.025
flat angles P-C4'-P energy: -26.578
tors. eta vs tors. theta energy: -44.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -469.605186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.605186 (E_RNA)
where:
Base-Base interactions energy: -275.336
where: short stacking energy: -170.534
Base-Backbone interact. energy: 3.898
local terms energy: -198.166416
where:
bonds (distance) C4'-P energy: -36.861
bonds (distance) P-C4' energy: -57.047
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -33.787
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: 10, replica: 4
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -546.651686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.651686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.651686 (E_RNA)
where:
Base-Base interactions energy: -332.825
where: short stacking energy: -149.549
Base-Backbone interact. energy: 1.375
local terms energy: -215.201739
where:
bonds (distance) C4'-P energy: -54.125
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -22.006
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: 441
Temperature: 0.900000
Total energy: -1153.896563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.896563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.896563 (E_RNA)
where:
Base-Base interactions energy: -822.482
where: short stacking energy: -331.911
Base-Backbone interact. energy: -2.964
local terms energy: -328.450470
where:
bonds (distance) C4'-P energy: -54.461
bonds (distance) P-C4' energy: -64.633
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -40.451
tors. eta vs tors. theta energy: -99.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1084.217834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.217834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.217834 (E_RNA)
where:
Base-Base interactions energy: -763.732
where: short stacking energy: -313.642
Base-Backbone interact. energy: -0.821
local terms energy: -319.664557
where:
bonds (distance) C4'-P energy: -59.171
bonds (distance) P-C4' energy: -57.030
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -42.532
tors. eta vs tors. theta energy: -89.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1054.490583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.490583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.490583 (E_RNA)
where:
Base-Base interactions energy: -733.696
where: short stacking energy: -315.939
Base-Backbone interact. energy: -0.668
local terms energy: -320.126885
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -58.061
flat angles C4'-P-C4' energy: -67.771
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -90.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1010.932463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.932463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.932463 (E_RNA)
where:
Base-Base interactions energy: -703.098
where: short stacking energy: -309.804
Base-Backbone interact. energy: -1.579
local terms energy: -306.255110
where:
bonds (distance) C4'-P energy: -45.407
bonds (distance) P-C4' energy: -64.673
flat angles C4'-P-C4' energy: -58.186
flat angles P-C4'-P energy: -45.412
tors. eta vs tors. theta energy: -92.576
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: 5, replica: 1
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -975.314613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.314613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.314613 (E_RNA)
where:
Base-Base interactions energy: -682.558
where: short stacking energy: -296.935
Base-Backbone interact. energy: -0.863
local terms energy: -291.893360
where:
bonds (distance) C4'-P energy: -51.040
bonds (distance) P-C4' energy: -51.553
flat angles C4'-P-C4' energy: -52.905
flat angles P-C4'-P energy: -51.364
tors. eta vs tors. theta energy: -85.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -867.494220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.494220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.494220 (E_RNA)
where:
Base-Base interactions energy: -592.897
where: short stacking energy: -249.987
Base-Backbone interact. energy: -2.397
local terms energy: -272.200123
where:
bonds (distance) C4'-P energy: -60.720
bonds (distance) P-C4' energy: -64.733
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -33.582
tors. eta vs tors. theta energy: -61.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -843.211894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.211894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.211894 (E_RNA)
where:
Base-Base interactions energy: -570.545
where: short stacking energy: -242.447
Base-Backbone interact. energy: -0.932
local terms energy: -271.734832
where:
bonds (distance) C4'-P energy: -53.683
bonds (distance) P-C4' energy: -57.365
flat angles C4'-P-C4' energy: -55.552
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -61.443
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: 8
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -693.912201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.912201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.912201 (E_RNA)
where:
Base-Base interactions energy: -473.368
where: short stacking energy: -202.255
Base-Backbone interact. energy: -0.839
local terms energy: -219.704798
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -35.514
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: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -460.886005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.886005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.886005 (E_RNA)
where:
Base-Base interactions energy: -259.182
where: short stacking energy: -137.541
Base-Backbone interact. energy: 0.609
local terms energy: -202.313227
where:
bonds (distance) C4'-P energy: -54.275
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -48.359
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -16.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -521.856732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.856732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.856732 (E_RNA)
where:
Base-Base interactions energy: -321.351
where: short stacking energy: -150.495
Base-Backbone interact. energy: -1.242
local terms energy: -199.264244
where:
bonds (distance) C4'-P energy: -46.049
bonds (distance) P-C4' energy: -62.400
flat angles C4'-P-C4' energy: -44.719
flat angles P-C4'-P energy: -16.348
tors. eta vs tors. theta energy: -29.748
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: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1157.686382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.686382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.686382 (E_RNA)
where:
Base-Base interactions energy: -847.848
where: short stacking energy: -347.895
Base-Backbone interact. energy: 1.041
local terms energy: -310.879873
where:
bonds (distance) C4'-P energy: -56.719
bonds (distance) P-C4' energy: -58.463
flat angles C4'-P-C4' energy: -69.598
flat angles P-C4'-P energy: -36.862
tors. eta vs tors. theta energy: -89.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1082.159112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.159112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.159112 (E_RNA)
where:
Base-Base interactions energy: -743.011
where: short stacking energy: -322.696
Base-Backbone interact. energy: 0.011
local terms energy: -339.158535
where:
bonds (distance) C4'-P energy: -61.096
bonds (distance) P-C4' energy: -58.744
flat angles C4'-P-C4' energy: -74.007
flat angles P-C4'-P energy: -55.279
tors. eta vs tors. theta energy: -90.033
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: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1053.223184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.223184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.223184 (E_RNA)
where:
Base-Base interactions energy: -737.787
where: short stacking energy: -315.325
Base-Backbone interact. energy: -1.010
local terms energy: -314.426023
where:
bonds (distance) C4'-P energy: -63.280
bonds (distance) P-C4' energy: -48.314
flat angles C4'-P-C4' energy: -67.962
flat angles P-C4'-P energy: -47.445
tors. eta vs tors. theta energy: -87.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1012.902802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.902802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.902802 (E_RNA)
where:
Base-Base interactions energy: -717.197
where: short stacking energy: -288.388
Base-Backbone interact. energy: -0.857
local terms energy: -294.848599
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -60.325
flat angles C4'-P-C4' energy: -57.004
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -78.927
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: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -979.405721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.405721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.405721 (E_RNA)
where:
Base-Base interactions energy: -673.765
where: short stacking energy: -292.119
Base-Backbone interact. energy: -0.632
local terms energy: -305.008191
where:
bonds (distance) C4'-P energy: -56.364
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -63.398
flat angles P-C4'-P energy: -47.985
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -871.632254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.632254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.632254 (E_RNA)
where:
Base-Base interactions energy: -596.011
where: short stacking energy: -262.906
Base-Backbone interact. energy: -0.988
local terms energy: -274.633831
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -42.073
tors. eta vs tors. theta energy: -67.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -800.878768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.878768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.878768 (E_RNA)
where:
Base-Base interactions energy: -541.652
where: short stacking energy: -224.040
Base-Backbone interact. energy: -0.839
local terms energy: -258.388020
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -57.885
flat angles C4'-P-C4' energy: -57.653
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: -55.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -627.464614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.464614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.464614 (E_RNA)
where:
Base-Base interactions energy: -410.238
where: short stacking energy: -186.935
Base-Backbone interact. energy: -2.152
local terms energy: -215.074598
where:
bonds (distance) C4'-P energy: -49.400
bonds (distance) P-C4' energy: -48.488
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -29.157
tors. eta vs tors. theta energy: -31.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -524.546319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.546319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.546319 (E_RNA)
where:
Base-Base interactions energy: -332.949
where: short stacking energy: -166.522
Base-Backbone interact. energy: 0.568
local terms energy: -192.164533
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -46.984
flat angles C4'-P-C4' energy: -43.796
flat angles P-C4'-P energy: -30.697
tors. eta vs tors. theta energy: -29.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -422.678639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.678639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.678639 (E_RNA)
where:
Base-Base interactions energy: -245.117
where: short stacking energy: -142.177
Base-Backbone interact. energy: -1.421
local terms energy: -176.140766
where:
bonds (distance) C4'-P energy: -46.603
bonds (distance) P-C4' energy: -50.354
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -28.263
tors. eta vs tors. theta energy: -6.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1146.474776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.474776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.474776 (E_RNA)
where:
Base-Base interactions energy: -822.925
where: short stacking energy: -318.766
Base-Backbone interact. energy: -0.938
local terms energy: -322.611805
where:
bonds (distance) C4'-P energy: -67.064
bonds (distance) P-C4' energy: -70.192
flat angles C4'-P-C4' energy: -64.468
flat angles P-C4'-P energy: -40.211
tors. eta vs tors. theta energy: -80.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1079.343161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.343161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.343161 (E_RNA)
where:
Base-Base interactions energy: -771.595
where: short stacking energy: -335.744
Base-Backbone interact. energy: -1.499
local terms energy: -306.249372
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -57.628
flat angles C4'-P-C4' energy: -69.717
flat angles P-C4'-P energy: -46.848
tors. eta vs tors. theta energy: -86.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1087.945858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.945858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.945858 (E_RNA)
where:
Base-Base interactions energy: -762.611
where: short stacking energy: -301.823
Base-Backbone interact. energy: -0.812
local terms energy: -324.522855
where:
bonds (distance) C4'-P energy: -61.941
bonds (distance) P-C4' energy: -64.367
flat angles C4'-P-C4' energy: -67.600
flat angles P-C4'-P energy: -40.049
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -989.577439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.577439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.577439 (E_RNA)
where:
Base-Base interactions energy: -698.066
where: short stacking energy: -290.473
Base-Backbone interact. energy: -0.485
local terms energy: -291.026776
where:
bonds (distance) C4'-P energy: -54.311
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -55.604
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -85.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1018.499876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.499876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.499876 (E_RNA)
where:
Base-Base interactions energy: -704.795
where: short stacking energy: -316.209
Base-Backbone interact. energy: 0.119
local terms energy: -313.823610
where:
bonds (distance) C4'-P energy: -55.771
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -68.359
flat angles P-C4'-P energy: -42.153
tors. eta vs tors. theta energy: -87.198
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -851.460763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.460763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.460763 (E_RNA)
where:
Base-Base interactions energy: -587.393
where: short stacking energy: -249.729
Base-Backbone interact. energy: 0.437
local terms energy: -264.504538
where:
bonds (distance) C4'-P energy: -54.676
bonds (distance) P-C4' energy: -53.721
flat angles C4'-P-C4' energy: -62.240
flat angles P-C4'-P energy: -36.111
tors. eta vs tors. theta energy: -57.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -802.469478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.469478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.469478 (E_RNA)
where:
Base-Base interactions energy: -553.368
where: short stacking energy: -240.613
Base-Backbone interact. energy: -1.148
local terms energy: -247.953978
where:
bonds (distance) C4'-P energy: -50.262
bonds (distance) P-C4' energy: -44.068
flat angles C4'-P-C4' energy: -57.613
flat angles P-C4'-P energy: -38.514
tors. eta vs tors. theta energy: -57.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -654.764000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.764000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.764000 (E_RNA)
where:
Base-Base interactions energy: -421.582
where: short stacking energy: -168.109
Base-Backbone interact. energy: -2.032
local terms energy: -231.150027
where:
bonds (distance) C4'-P energy: -63.275
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -51.187
flat angles P-C4'-P energy: -18.179
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -505.135415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.135415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.135415 (E_RNA)
where:
Base-Base interactions energy: -313.215
where: short stacking energy: -161.728
Base-Backbone interact. energy: 0.705
local terms energy: -192.625060
where:
bonds (distance) C4'-P energy: -45.701
bonds (distance) P-C4' energy: -46.562
flat angles C4'-P-C4' energy: -46.594
flat angles P-C4'-P energy: -26.292
tors. eta vs tors. theta energy: -27.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -411.932725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.932725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.932725 (E_RNA)
where:
Base-Base interactions energy: -243.185
where: short stacking energy: -123.813
Base-Backbone interact. energy: -2.141
local terms energy: -166.606293
where:
bonds (distance) C4'-P energy: -47.871
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -32.619
flat angles P-C4'-P energy: -21.193
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1152.749913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.749913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.749913 (E_RNA)
where:
Base-Base interactions energy: -829.809
where: short stacking energy: -337.132
Base-Backbone interact. energy: -0.830
local terms energy: -322.111836
where:
bonds (distance) C4'-P energy: -63.440
bonds (distance) P-C4' energy: -54.022
flat angles C4'-P-C4' energy: -66.524
flat angles P-C4'-P energy: -48.602
tors. eta vs tors. theta energy: -89.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1078.078807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.078807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.078807 (E_RNA)
where:
Base-Base interactions energy: -762.604
where: short stacking energy: -300.286
Base-Backbone interact. energy: -2.260
local terms energy: -313.214579
where:
bonds (distance) C4'-P energy: -55.482
bonds (distance) P-C4' energy: -62.396
flat angles C4'-P-C4' energy: -63.447
flat angles P-C4'-P energy: -46.326
tors. eta vs tors. theta energy: -85.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1082.471128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.471128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.471128 (E_RNA)
where:
Base-Base interactions energy: -776.982
where: short stacking energy: -320.693
Base-Backbone interact. energy: -1.125
local terms energy: -304.364716
where:
bonds (distance) C4'-P energy: -58.136
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -59.286
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -95.100
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: 5
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -963.935593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.935593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.935593 (E_RNA)
where:
Base-Base interactions energy: -657.405
where: short stacking energy: -302.686
Base-Backbone interact. energy: -1.448
local terms energy: -305.083107
where:
bonds (distance) C4'-P energy: -60.319
bonds (distance) P-C4' energy: -50.503
flat angles C4'-P-C4' energy: -64.551
flat angles P-C4'-P energy: -45.620
tors. eta vs tors. theta energy: -84.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1005.712261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.712261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.712261 (E_RNA)
where:
Base-Base interactions energy: -701.137
where: short stacking energy: -294.348
Base-Backbone interact. energy: -0.609
local terms energy: -303.965480
where:
bonds (distance) C4'-P energy: -50.156
bonds (distance) P-C4' energy: -68.158
flat angles C4'-P-C4' energy: -69.483
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -86.197
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: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -860.885662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.885662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.885662 (E_RNA)
where:
Base-Base interactions energy: -591.175
where: short stacking energy: -261.715
Base-Backbone interact. energy: -0.009
local terms energy: -269.701591
where:
bonds (distance) C4'-P energy: -45.335
bonds (distance) P-C4' energy: -62.003
flat angles C4'-P-C4' energy: -53.949
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -69.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -812.067008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.067008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.067008 (E_RNA)
where:
Base-Base interactions energy: -552.700
where: short stacking energy: -231.395
Base-Backbone interact. energy: 1.085
local terms energy: -260.451395
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -65.072
flat angles C4'-P-C4' energy: -59.464
flat angles P-C4'-P energy: -27.179
tors. eta vs tors. theta energy: -54.661
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: 444
Temperature: 1.250000
Total energy: -665.832119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.832119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.832119 (E_RNA)
where:
Base-Base interactions energy: -427.633
where: short stacking energy: -177.223
Base-Backbone interact. energy: 1.406
local terms energy: -239.605407
where:
bonds (distance) C4'-P energy: -55.914
bonds (distance) P-C4' energy: -59.116
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -35.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -549.748216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.748216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.748216 (E_RNA)
where:
Base-Base interactions energy: -347.305
where: short stacking energy: -160.323
Base-Backbone interact. energy: -0.645
local terms energy: -201.797324
where:
bonds (distance) C4'-P energy: -36.700
bonds (distance) P-C4' energy: -59.919
flat angles C4'-P-C4' energy: -43.943
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -438.761702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.761702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.761702 (E_RNA)
where:
Base-Base interactions energy: -250.159
where: short stacking energy: -131.942
Base-Backbone interact. energy: 1.764
local terms energy: -190.367194
where:
bonds (distance) C4'-P energy: -48.239
bonds (distance) P-C4' energy: -57.123
flat angles C4'-P-C4' energy: -38.086
flat angles P-C4'-P energy: -24.731
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1166.162080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.162080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.162080 (E_RNA)
where:
Base-Base interactions energy: -830.051
where: short stacking energy: -331.652
Base-Backbone interact. energy: -0.540
local terms energy: -335.571321
where:
bonds (distance) C4'-P energy: -58.956
bonds (distance) P-C4' energy: -64.600
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -87.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1123.603677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.603677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.603677 (E_RNA)
where:
Base-Base interactions energy: -798.780
where: short stacking energy: -333.149
Base-Backbone interact. energy: 1.393
local terms energy: -326.216716
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -60.311
flat angles C4'-P-C4' energy: -72.306
flat angles P-C4'-P energy: -46.659
tors. eta vs tors. theta energy: -96.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1066.378579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.378579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.378579 (E_RNA)
where:
Base-Base interactions energy: -755.433
where: short stacking energy: -324.336
Base-Backbone interact. energy: 2.753
local terms energy: -313.698576
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -65.104
flat angles C4'-P-C4' energy: -64.916
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -89.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1006.380799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.380799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.380799 (E_RNA)
where:
Base-Base interactions energy: -698.090
where: short stacking energy: -299.319
Base-Backbone interact. energy: -0.936
local terms energy: -307.354793
where:
bonds (distance) C4'-P energy: -59.268
bonds (distance) P-C4' energy: -59.965
flat angles C4'-P-C4' energy: -64.020
flat angles P-C4'-P energy: -38.317
tors. eta vs tors. theta energy: -85.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -980.460532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.460532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.460532 (E_RNA)
where:
Base-Base interactions energy: -677.480
where: short stacking energy: -310.604
Base-Backbone interact. energy: -0.645
local terms energy: -302.335637
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -60.116
flat angles C4'-P-C4' energy: -66.288
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: -82.613
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: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -835.141193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.141193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.141193 (E_RNA)
where:
Base-Base interactions energy: -558.845
where: short stacking energy: -243.129
Base-Backbone interact. energy: -0.322
local terms energy: -275.974557
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -61.770
flat angles C4'-P-C4' energy: -65.241
flat angles P-C4'-P energy: -39.356
tors. eta vs tors. theta energy: -55.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -827.742048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.742048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.742048 (E_RNA)
where:
Base-Base interactions energy: -575.150
where: short stacking energy: -263.368
Base-Backbone interact. energy: -2.123
local terms energy: -250.469738
where:
bonds (distance) C4'-P energy: -53.401
bonds (distance) P-C4' energy: -48.687
flat angles C4'-P-C4' energy: -65.208
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -53.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -644.536830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.536830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.536830 (E_RNA)
where:
Base-Base interactions energy: -415.449
where: short stacking energy: -189.222
Base-Backbone interact. energy: 2.561
local terms energy: -231.648119
where:
bonds (distance) C4'-P energy: -53.741
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -40.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -519.733737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.733737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.733737 (E_RNA)
where:
Base-Base interactions energy: -323.234
where: short stacking energy: -149.414
Base-Backbone interact. energy: 0.019
local terms energy: -196.518302
where:
bonds (distance) C4'-P energy: -57.580
bonds (distance) P-C4' energy: -46.394
flat angles C4'-P-C4' energy: -48.331
flat angles P-C4'-P energy: -21.078
tors. eta vs tors. theta energy: -23.135
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: 445
Temperature: 1.350000
Total energy: -441.859954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.859954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.859954 (E_RNA)
where:
Base-Base interactions energy: -272.189
where: short stacking energy: -124.225
Base-Backbone interact. energy: -0.742
local terms energy: -168.928145
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -47.535
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -14.613
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: 446
Temperature: 0.900000
Total energy: -1166.586464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.586464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.586464 (E_RNA)
where:
Base-Base interactions energy: -832.859
where: short stacking energy: -337.568
Base-Backbone interact. energy: -2.846
local terms energy: -330.881662
where:
bonds (distance) C4'-P energy: -61.617
bonds (distance) P-C4' energy: -64.142
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -50.365
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: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1122.936393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.936393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.936393 (E_RNA)
where:
Base-Base interactions energy: -808.247
where: short stacking energy: -331.446
Base-Backbone interact. energy: -1.542
local terms energy: -313.146958
where:
bonds (distance) C4'-P energy: -59.219
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -61.956
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -96.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1074.770558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.770558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.770558 (E_RNA)
where:
Base-Base interactions energy: -765.942
where: short stacking energy: -323.620
Base-Backbone interact. energy: -1.730
local terms energy: -307.097832
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -60.286
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -42.483
tors. eta vs tors. theta energy: -87.846
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: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -995.139802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.139802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.139802 (E_RNA)
where:
Base-Base interactions energy: -683.431
where: short stacking energy: -309.860
Base-Backbone interact. energy: -0.359
local terms energy: -311.349569
where:
bonds (distance) C4'-P energy: -61.055
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -38.237
tors. eta vs tors. theta energy: -85.691
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: 446
Temperature: 1.100000
Total energy: -967.304778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.304778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.304778 (E_RNA)
where:
Base-Base interactions energy: -682.927
where: short stacking energy: -289.403
Base-Backbone interact. energy: 1.710
local terms energy: -286.087494
where:
bonds (distance) C4'-P energy: -57.076
bonds (distance) P-C4' energy: -46.509
flat angles C4'-P-C4' energy: -63.406
flat angles P-C4'-P energy: -41.766
tors. eta vs tors. theta energy: -77.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -847.697071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.697071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.697071 (E_RNA)
where:
Base-Base interactions energy: -572.296
where: short stacking energy: -250.519
Base-Backbone interact. energy: 1.267
local terms energy: -276.668502
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -56.360
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -68.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -823.000415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.000415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.000415 (E_RNA)
where:
Base-Base interactions energy: -561.659
where: short stacking energy: -231.971
Base-Backbone interact. energy: -1.740
local terms energy: -259.601709
where:
bonds (distance) C4'-P energy: -56.535
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -61.795
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -63.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -631.429511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.429511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.429511 (E_RNA)
where:
Base-Base interactions energy: -394.057
where: short stacking energy: -169.479
Base-Backbone interact. energy: -2.258
local terms energy: -235.113839
where:
bonds (distance) C4'-P energy: -43.913
bonds (distance) P-C4' energy: -59.131
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -30.898
tors. eta vs tors. theta energy: -45.351
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: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -521.497149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.497149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.497149 (E_RNA)
where:
Base-Base interactions energy: -315.605
where: short stacking energy: -155.695
Base-Backbone interact. energy: -0.869
local terms energy: -205.022669
where:
bonds (distance) C4'-P energy: -46.025
bonds (distance) P-C4' energy: -50.198
flat angles C4'-P-C4' energy: -60.065
flat angles P-C4'-P energy: -26.763
tors. eta vs tors. theta energy: -21.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -450.981621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.981621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.981621 (E_RNA)
where:
Base-Base interactions energy: -258.295
where: short stacking energy: -156.357
Base-Backbone interact. energy: 0.090
local terms energy: -192.776165
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -54.842
flat angles C4'-P-C4' energy: -38.822
flat angles P-C4'-P energy: -32.511
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1167.403141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.403141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.403141 (E_RNA)
where:
Base-Base interactions energy: -830.906
where: short stacking energy: -329.194
Base-Backbone interact. energy: 0.813
local terms energy: -337.310763
where:
bonds (distance) C4'-P energy: -60.765
bonds (distance) P-C4' energy: -64.416
flat angles C4'-P-C4' energy: -73.019
flat angles P-C4'-P energy: -48.378
tors. eta vs tors. theta energy: -90.732
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1105.904449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.904449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.904449 (E_RNA)
where:
Base-Base interactions energy: -771.439
where: short stacking energy: -316.000
Base-Backbone interact. energy: -1.939
local terms energy: -332.526605
where:
bonds (distance) C4'-P energy: -68.851
bonds (distance) P-C4' energy: -50.602
flat angles C4'-P-C4' energy: -71.253
flat angles P-C4'-P energy: -45.333
tors. eta vs tors. theta energy: -96.487
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: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1036.867997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.867997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.867997 (E_RNA)
where:
Base-Base interactions energy: -729.964
where: short stacking energy: -306.060
Base-Backbone interact. energy: 0.123
local terms energy: -307.027046
where:
bonds (distance) C4'-P energy: -54.037
bonds (distance) P-C4' energy: -53.717
flat angles C4'-P-C4' energy: -69.119
flat angles P-C4'-P energy: -42.247
tors. eta vs tors. theta energy: -87.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -995.407297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.407297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.407297 (E_RNA)
where:
Base-Base interactions energy: -697.605
where: short stacking energy: -301.976
Base-Backbone interact. energy: -1.299
local terms energy: -296.503067
where:
bonds (distance) C4'-P energy: -53.924
bonds (distance) P-C4' energy: -56.541
flat angles C4'-P-C4' energy: -70.846
flat angles P-C4'-P energy: -37.914
tors. eta vs tors. theta energy: -77.278
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: 5, replica: 1
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -968.240577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.240577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.240577 (E_RNA)
where:
Base-Base interactions energy: -679.275
where: short stacking energy: -285.518
Base-Backbone interact. energy: -0.624
local terms energy: -288.341326
where:
bonds (distance) C4'-P energy: -56.374
bonds (distance) P-C4' energy: -52.762
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -38.837
tors. eta vs tors. theta energy: -82.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -908.579383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.579383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.579383 (E_RNA)
where:
Base-Base interactions energy: -642.256
where: short stacking energy: -278.719
Base-Backbone interact. energy: -0.630
local terms energy: -265.693380
where:
bonds (distance) C4'-P energy: -49.147
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -63.302
flat angles P-C4'-P energy: -25.597
tors. eta vs tors. theta energy: -76.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -829.385124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.385124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.385124 (E_RNA)
where:
Base-Base interactions energy: -577.084
where: short stacking energy: -226.383
Base-Backbone interact. energy: -0.939
local terms energy: -251.361720
where:
bonds (distance) C4'-P energy: -49.447
bonds (distance) P-C4' energy: -49.146
flat angles C4'-P-C4' energy: -54.363
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -56.776
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: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -596.559910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.559910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.559910 (E_RNA)
where:
Base-Base interactions energy: -372.226
where: short stacking energy: -185.898
Base-Backbone interact. energy: 1.170
local terms energy: -225.504319
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -64.045
flat angles C4'-P-C4' energy: -57.398
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -595.283617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.283617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.283617 (E_RNA)
where:
Base-Base interactions energy: -387.978
where: short stacking energy: -192.313
Base-Backbone interact. energy: -2.117
local terms energy: -205.189139
where:
bonds (distance) C4'-P energy: -29.679
bonds (distance) P-C4' energy: -50.459
flat angles C4'-P-C4' energy: -52.078
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -41.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -449.265517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.265517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.265517 (E_RNA)
where:
Base-Base interactions energy: -239.187
where: short stacking energy: -136.880
Base-Backbone interact. energy: 0.832
local terms energy: -210.910011
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -33.494
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1168.101884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.101884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.101884 (E_RNA)
where:
Base-Base interactions energy: -844.338
where: short stacking energy: -342.851
Base-Backbone interact. energy: -0.001
local terms energy: -323.763190
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -60.293
flat angles C4'-P-C4' energy: -72.293
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -88.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1126.008974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.008974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.008974 (E_RNA)
where:
Base-Base interactions energy: -802.040
where: short stacking energy: -337.126
Base-Backbone interact. energy: -1.302
local terms energy: -322.666180
where:
bonds (distance) C4'-P energy: -56.811
bonds (distance) P-C4' energy: -66.306
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -33.559
tors. eta vs tors. theta energy: -97.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1021.622478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.622478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.622478 (E_RNA)
where:
Base-Base interactions energy: -724.025
where: short stacking energy: -314.905
Base-Backbone interact. energy: 1.254
local terms energy: -298.851198
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -43.090
flat angles C4'-P-C4' energy: -64.103
flat angles P-C4'-P energy: -44.963
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: 4, replica: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1038.111740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.111740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.111740 (E_RNA)
where:
Base-Base interactions energy: -725.433
where: short stacking energy: -285.955
Base-Backbone interact. energy: -2.036
local terms energy: -310.642579
where:
bonds (distance) C4'-P energy: -57.453
bonds (distance) P-C4' energy: -57.007
flat angles C4'-P-C4' energy: -69.610
flat angles P-C4'-P energy: -40.355
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: 5, replica: 1
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -977.731327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.731327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.731327 (E_RNA)
where:
Base-Base interactions energy: -674.574
where: short stacking energy: -293.091
Base-Backbone interact. energy: -0.487
local terms energy: -302.670364
where:
bonds (distance) C4'-P energy: -58.977
bonds (distance) P-C4' energy: -54.837
flat angles C4'-P-C4' energy: -65.547
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -78.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -881.274178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.274178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.274178 (E_RNA)
where:
Base-Base interactions energy: -592.122
where: short stacking energy: -260.887
Base-Backbone interact. energy: -1.127
local terms energy: -288.025445
where:
bonds (distance) C4'-P energy: -55.502
bonds (distance) P-C4' energy: -45.699
flat angles C4'-P-C4' energy: -71.840
flat angles P-C4'-P energy: -44.647
tors. eta vs tors. theta energy: -70.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -824.689901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.689901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.689901 (E_RNA)
where:
Base-Base interactions energy: -562.856
where: short stacking energy: -257.753
Base-Backbone interact. energy: -1.501
local terms energy: -260.332195
where:
bonds (distance) C4'-P energy: -50.610
bonds (distance) P-C4' energy: -51.233
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -36.522
tors. eta vs tors. theta energy: -56.631
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: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -618.180069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.180069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.180069 (E_RNA)
where:
Base-Base interactions energy: -399.149
where: short stacking energy: -191.488
Base-Backbone interact. energy: -0.408
local terms energy: -218.623005
where:
bonds (distance) C4'-P energy: -36.998
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -53.019
flat angles P-C4'-P energy: -35.662
tors. eta vs tors. theta energy: -32.531
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: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -560.702369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.702369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.702369 (E_RNA)
where:
Base-Base interactions energy: -360.486
where: short stacking energy: -153.563
Base-Backbone interact. energy: -0.335
local terms energy: -199.880860
where:
bonds (distance) C4'-P energy: -42.027
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -49.654
flat angles P-C4'-P energy: -40.513
tors. eta vs tors. theta energy: -14.790
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: 10, replica: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -422.068680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.068680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.068680 (E_RNA)
where:
Base-Base interactions energy: -233.640
where: short stacking energy: -124.952
Base-Backbone interact. energy: -1.173
local terms energy: -187.255030
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -49.668
flat angles C4'-P-C4' energy: -47.656
flat angles P-C4'-P energy: -25.063
tors. eta vs tors. theta energy: -13.545
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: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1181.744813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.744813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.744813 (E_RNA)
where:
Base-Base interactions energy: -851.849
where: short stacking energy: -332.500
Base-Backbone interact. energy: 1.236
local terms energy: -331.131493
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -67.369
flat angles C4'-P-C4' energy: -65.503
flat angles P-C4'-P energy: -46.960
tors. eta vs tors. theta energy: -89.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1126.810190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.810190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.810190 (E_RNA)
where:
Base-Base interactions energy: -804.299
where: short stacking energy: -335.554
Base-Backbone interact. energy: -2.210
local terms energy: -320.301389
where:
bonds (distance) C4'-P energy: -60.197
bonds (distance) P-C4' energy: -55.592
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -45.731
tors. eta vs tors. theta energy: -94.441
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: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1053.488666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.488666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.488666 (E_RNA)
where:
Base-Base interactions energy: -731.924
where: short stacking energy: -329.366
Base-Backbone interact. energy: -0.008
local terms energy: -321.556706
where:
bonds (distance) C4'-P energy: -56.855
bonds (distance) P-C4' energy: -65.803
flat angles C4'-P-C4' energy: -67.332
flat angles P-C4'-P energy: -40.590
tors. eta vs tors. theta energy: -90.977
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: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1045.372183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.372183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.372183 (E_RNA)
where:
Base-Base interactions energy: -732.122
where: short stacking energy: -315.689
Base-Backbone interact. energy: -1.819
local terms energy: -311.431418
where:
bonds (distance) C4'-P energy: -45.639
bonds (distance) P-C4' energy: -62.095
flat angles C4'-P-C4' energy: -63.241
flat angles P-C4'-P energy: -47.632
tors. eta vs tors. theta energy: -92.825
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: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -996.856020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.856020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.856020 (E_RNA)
where:
Base-Base interactions energy: -706.925
where: short stacking energy: -308.611
Base-Backbone interact. energy: 0.103
local terms energy: -290.033948
where:
bonds (distance) C4'-P energy: -55.885
bonds (distance) P-C4' energy: -63.313
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -32.436
tors. eta vs tors. theta energy: -80.613
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: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -888.802920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.802920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.802920 (E_RNA)
where:
Base-Base interactions energy: -597.773
where: short stacking energy: -284.048
Base-Backbone interact. energy: -1.936
local terms energy: -289.094524
where:
bonds (distance) C4'-P energy: -51.168
bonds (distance) P-C4' energy: -61.379
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -78.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -820.435175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.435175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.435175 (E_RNA)
where:
Base-Base interactions energy: -559.334
where: short stacking energy: -258.686
Base-Backbone interact. energy: -0.728
local terms energy: -260.372678
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -54.992
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -65.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -567.877832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.877832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.877832 (E_RNA)
where:
Base-Base interactions energy: -365.945
where: short stacking energy: -178.848
Base-Backbone interact. energy: -1.045
local terms energy: -200.887750
where:
bonds (distance) C4'-P energy: -39.198
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -45.425
flat angles P-C4'-P energy: -34.337
tors. eta vs tors. theta energy: -22.878
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: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -586.755724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.755724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.755724 (E_RNA)
where:
Base-Base interactions energy: -373.640
where: short stacking energy: -178.820
Base-Backbone interact. energy: -0.298
local terms energy: -212.817230
where:
bonds (distance) C4'-P energy: -45.060
bonds (distance) P-C4' energy: -51.238
flat angles C4'-P-C4' energy: -52.383
flat angles P-C4'-P energy: -27.654
tors. eta vs tors. theta energy: -36.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -412.135810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.135810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.135810 (E_RNA)
where:
Base-Base interactions energy: -250.281
where: short stacking energy: -153.618
Base-Backbone interact. energy: 4.209
local terms energy: -166.063818
where:
bonds (distance) C4'-P energy: -40.710
bonds (distance) P-C4' energy: -47.604
flat angles C4'-P-C4' energy: -44.227
flat angles P-C4'-P energy: -23.629
tors. eta vs tors. theta energy: -9.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1181.065318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.065318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.065318 (E_RNA)
where:
Base-Base interactions energy: -853.135
where: short stacking energy: -344.034
Base-Backbone interact. energy: -0.895
local terms energy: -327.035694
where:
bonds (distance) C4'-P energy: -56.221
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -65.340
flat angles P-C4'-P energy: -45.178
tors. eta vs tors. theta energy: -98.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1130.461921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.461921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.461921 (E_RNA)
where:
Base-Base interactions energy: -810.731
where: short stacking energy: -326.341
Base-Backbone interact. energy: -0.586
local terms energy: -319.145066
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -61.247
flat angles C4'-P-C4' energy: -60.427
flat angles P-C4'-P energy: -39.905
tors. eta vs tors. theta energy: -98.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1053.753865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.753865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.753865 (E_RNA)
where:
Base-Base interactions energy: -746.960
where: short stacking energy: -313.621
Base-Backbone interact. energy: -1.098
local terms energy: -305.696289
where:
bonds (distance) C4'-P energy: -52.073
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -68.512
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -89.004
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: 450
Temperature: 1.050000
Total energy: -1005.843907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.843907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.843907 (E_RNA)
where:
Base-Base interactions energy: -706.875
where: short stacking energy: -292.275
Base-Backbone interact. energy: -1.033
local terms energy: -297.936091
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -59.694
flat angles C4'-P-C4' energy: -56.723
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -89.589
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: 5, replica: 1
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -992.026628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.026628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.026628 (E_RNA)
where:
Base-Base interactions energy: -698.535
where: short stacking energy: -294.125
Base-Backbone interact. energy: -1.397
local terms energy: -292.094311
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -59.015
flat angles C4'-P-C4' energy: -61.156
flat angles P-C4'-P energy: -40.064
tors. eta vs tors. theta energy: -77.809
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: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -896.471071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.471071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.471071 (E_RNA)
where:
Base-Base interactions energy: -598.377
where: short stacking energy: -264.818
Base-Backbone interact. energy: 1.057
local terms energy: -299.151311
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -48.452
tors. eta vs tors. theta energy: -70.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -804.038969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.038969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.038969 (E_RNA)
where:
Base-Base interactions energy: -548.173
where: short stacking energy: -235.496
Base-Backbone interact. energy: -0.327
local terms energy: -255.538830
where:
bonds (distance) C4'-P energy: -43.076
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -64.679
flat angles P-C4'-P energy: -37.084
tors. eta vs tors. theta energy: -59.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -585.264448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.264448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.264448 (E_RNA)
where:
Base-Base interactions energy: -400.373
where: short stacking energy: -191.720
Base-Backbone interact. energy: -0.810
local terms energy: -184.081286
where:
bonds (distance) C4'-P energy: -43.763
bonds (distance) P-C4' energy: -45.763
flat angles C4'-P-C4' energy: -47.594
flat angles P-C4'-P energy: -24.277
tors. eta vs tors. theta energy: -22.684
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: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -550.912869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.912869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.912869 (E_RNA)
where:
Base-Base interactions energy: -331.737
where: short stacking energy: -164.274
Base-Backbone interact. energy: -2.837
local terms energy: -216.339549
where:
bonds (distance) C4'-P energy: -58.873
bonds (distance) P-C4' energy: -47.668
flat angles C4'-P-C4' energy: -46.372
flat angles P-C4'-P energy: -41.271
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -441.169336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.169336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.169336 (E_RNA)
where:
Base-Base interactions energy: -237.665
where: short stacking energy: -129.764
Base-Backbone interact. energy: -0.882
local terms energy: -202.622074
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -43.220
flat angles P-C4'-P energy: -32.110
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1176.048667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.048667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.048667 (E_RNA)
where:
Base-Base interactions energy: -842.948
where: short stacking energy: -342.349
Base-Backbone interact. energy: -2.209
local terms energy: -330.892140
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -61.121
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: -95.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1088.124105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.124105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.124105 (E_RNA)
where:
Base-Base interactions energy: -776.886
where: short stacking energy: -332.557
Base-Backbone interact. energy: -1.621
local terms energy: -309.617568
where:
bonds (distance) C4'-P energy: -51.778
bonds (distance) P-C4' energy: -56.012
flat angles C4'-P-C4' energy: -67.814
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -93.295
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: 6
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1073.158009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.158009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.158009 (E_RNA)
where:
Base-Base interactions energy: -764.818
where: short stacking energy: -318.646
Base-Backbone interact. energy: -2.574
local terms energy: -305.766446
where:
bonds (distance) C4'-P energy: -58.089
bonds (distance) P-C4' energy: -57.704
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -34.463
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: 4, replica: 1
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1018.398890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.398890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.398890 (E_RNA)
where:
Base-Base interactions energy: -716.311
where: short stacking energy: -321.661
Base-Backbone interact. energy: -1.605
local terms energy: -300.482713
where:
bonds (distance) C4'-P energy: -58.034
bonds (distance) P-C4' energy: -61.260
flat angles C4'-P-C4' energy: -66.310
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -80.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -974.480172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.480172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.480172 (E_RNA)
where:
Base-Base interactions energy: -683.948
where: short stacking energy: -288.180
Base-Backbone interact. energy: 1.471
local terms energy: -292.003192
where:
bonds (distance) C4'-P energy: -57.906
bonds (distance) P-C4' energy: -50.393
flat angles C4'-P-C4' energy: -66.370
flat angles P-C4'-P energy: -35.050
tors. eta vs tors. theta energy: -82.284
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: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -893.465975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.465975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.465975 (E_RNA)
where:
Base-Base interactions energy: -606.704
where: short stacking energy: -280.663
Base-Backbone interact. energy: -0.007
local terms energy: -286.754455
where:
bonds (distance) C4'-P energy: -54.328
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -63.207
flat angles P-C4'-P energy: -47.621
tors. eta vs tors. theta energy: -67.778
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: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -804.478710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.478710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.478710 (E_RNA)
where:
Base-Base interactions energy: -559.958
where: short stacking energy: -252.321
Base-Backbone interact. energy: 0.961
local terms energy: -245.481251
where:
bonds (distance) C4'-P energy: -44.632
bonds (distance) P-C4' energy: -52.518
flat angles C4'-P-C4' energy: -49.832
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -63.818
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: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -571.816064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.816064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.816064 (E_RNA)
where:
Base-Base interactions energy: -358.112
where: short stacking energy: -183.197
Base-Backbone interact. energy: 0.775
local terms energy: -214.478840
where:
bonds (distance) C4'-P energy: -46.550
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -50.928
flat angles P-C4'-P energy: -32.574
tors. eta vs tors. theta energy: -34.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -575.048003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.048003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.048003 (E_RNA)
where:
Base-Base interactions energy: -379.238
where: short stacking energy: -167.272
Base-Backbone interact. energy: 0.421
local terms energy: -196.230878
where:
bonds (distance) C4'-P energy: -42.746
bonds (distance) P-C4' energy: -52.718
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -25.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -443.737137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.737137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.737137 (E_RNA)
where:
Base-Base interactions energy: -257.435
where: short stacking energy: -141.149
Base-Backbone interact. energy: 2.522
local terms energy: -188.824040
where:
bonds (distance) C4'-P energy: -58.023
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -36.774
flat angles P-C4'-P energy: -16.649
tors. eta vs tors. theta energy: -27.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1175.426549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.426549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.426549 (E_RNA)
where:
Base-Base interactions energy: -863.651
where: short stacking energy: -343.655
Base-Backbone interact. energy: -1.372
local terms energy: -310.403409
where:
bonds (distance) C4'-P energy: -56.418
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -70.439
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -87.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1071.518080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.518080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.518080 (E_RNA)
where:
Base-Base interactions energy: -759.986
where: short stacking energy: -333.771
Base-Backbone interact. energy: -0.637
local terms energy: -310.894819
where:
bonds (distance) C4'-P energy: -48.630
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -68.837
flat angles P-C4'-P energy: -41.085
tors. eta vs tors. theta energy: -96.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1060.750667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.750667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.750667 (E_RNA)
where:
Base-Base interactions energy: -752.434
where: short stacking energy: -296.774
Base-Backbone interact. energy: 3.874
local terms energy: -312.189938
where:
bonds (distance) C4'-P energy: -52.207
bonds (distance) P-C4' energy: -56.366
flat angles C4'-P-C4' energy: -71.385
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -87.440
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: 1
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1016.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.028680 (E_RNA)
where:
Base-Base interactions energy: -697.132
where: short stacking energy: -307.566
Base-Backbone interact. energy: -1.148
local terms energy: -317.748682
where:
bonds (distance) C4'-P energy: -56.323
bonds (distance) P-C4' energy: -56.444
flat angles C4'-P-C4' energy: -64.964
flat angles P-C4'-P energy: -50.614
tors. eta vs tors. theta energy: -89.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -955.569351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.569351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.569351 (E_RNA)
where:
Base-Base interactions energy: -656.977
where: short stacking energy: -293.399
Base-Backbone interact. energy: -0.334
local terms energy: -298.258194
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -71.498
flat angles P-C4'-P energy: -45.532
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: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -904.244389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.244389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.244389 (E_RNA)
where:
Base-Base interactions energy: -618.047
where: short stacking energy: -286.871
Base-Backbone interact. energy: 0.372
local terms energy: -286.569009
where:
bonds (distance) C4'-P energy: -47.803
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -64.680
flat angles P-C4'-P energy: -33.126
tors. eta vs tors. theta energy: -79.594
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: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -763.011958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.011958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.011958 (E_RNA)
where:
Base-Base interactions energy: -505.305
where: short stacking energy: -222.632
Base-Backbone interact. energy: -0.228
local terms energy: -257.478898
where:
bonds (distance) C4'-P energy: -53.348
bonds (distance) P-C4' energy: -56.787
flat angles C4'-P-C4' energy: -60.423
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -53.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -606.929029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.929029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.929029 (E_RNA)
where:
Base-Base interactions energy: -372.963
where: short stacking energy: -189.855
Base-Backbone interact. energy: -0.729
local terms energy: -233.236870
where:
bonds (distance) C4'-P energy: -50.068
bonds (distance) P-C4' energy: -55.112
flat angles C4'-P-C4' energy: -56.667
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: -41.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -584.491105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.491105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.491105 (E_RNA)
where:
Base-Base interactions energy: -373.589
where: short stacking energy: -162.251
Base-Backbone interact. energy: -3.082
local terms energy: -207.819983
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -46.929
flat angles C4'-P-C4' energy: -51.486
flat angles P-C4'-P energy: -22.476
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -498.940962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.940962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.940962 (E_RNA)
where:
Base-Base interactions energy: -303.772
where: short stacking energy: -145.606
Base-Backbone interact. energy: -1.243
local terms energy: -193.926698
where:
bonds (distance) C4'-P energy: -46.649
bonds (distance) P-C4' energy: -54.972
flat angles C4'-P-C4' energy: -49.127
flat angles P-C4'-P energy: -19.736
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1171.509943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.509943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.509943 (E_RNA)
where:
Base-Base interactions energy: -862.282
where: short stacking energy: -346.765
Base-Backbone interact. energy: 4.347
local terms energy: -313.575468
where:
bonds (distance) C4'-P energy: -53.210
bonds (distance) P-C4' energy: -66.506
flat angles C4'-P-C4' energy: -73.413
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -85.423
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1101.151661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.151661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.151661 (E_RNA)
where:
Base-Base interactions energy: -772.349
where: short stacking energy: -338.636
Base-Backbone interact. energy: -1.140
local terms energy: -327.663037
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -63.326
flat angles C4'-P-C4' energy: -64.003
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -99.622
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: 3, replica: 6
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1077.817598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.817598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.817598 (E_RNA)
where:
Base-Base interactions energy: -764.759
where: short stacking energy: -315.297
Base-Backbone interact. energy: -2.357
local terms energy: -310.702412
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -47.204
tors. eta vs tors. theta energy: -91.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1003.797876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.797876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.797876 (E_RNA)
where:
Base-Base interactions energy: -691.353
where: short stacking energy: -289.218
Base-Backbone interact. energy: 0.067
local terms energy: -312.511982
where:
bonds (distance) C4'-P energy: -66.230
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -63.431
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: -76.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -980.347263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.347263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.347263 (E_RNA)
where:
Base-Base interactions energy: -681.887
where: short stacking energy: -305.134
Base-Backbone interact. energy: 0.158
local terms energy: -298.618685
where:
bonds (distance) C4'-P energy: -50.853
bonds (distance) P-C4' energy: -60.051
flat angles C4'-P-C4' energy: -65.527
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -82.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -878.639723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.639723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.639723 (E_RNA)
where:
Base-Base interactions energy: -588.765
where: short stacking energy: -247.758
Base-Backbone interact. energy: -1.538
local terms energy: -288.336456
where:
bonds (distance) C4'-P energy: -58.837
bonds (distance) P-C4' energy: -62.040
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -45.276
tors. eta vs tors. theta energy: -62.066
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: 453
Temperature: 1.200000
Total energy: -772.664300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.664300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.664300 (E_RNA)
where:
Base-Base interactions energy: -535.613
where: short stacking energy: -232.705
Base-Backbone interact. energy: -0.397
local terms energy: -236.654473
where:
bonds (distance) C4'-P energy: -53.822
bonds (distance) P-C4' energy: -34.469
flat angles C4'-P-C4' energy: -51.750
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -62.179
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: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -653.919458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.919458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.919458 (E_RNA)
where:
Base-Base interactions energy: -427.727
where: short stacking energy: -189.302
Base-Backbone interact. energy: -1.579
local terms energy: -224.614103
where:
bonds (distance) C4'-P energy: -47.532
bonds (distance) P-C4' energy: -53.965
flat angles C4'-P-C4' energy: -46.071
flat angles P-C4'-P energy: -34.129
tors. eta vs tors. theta energy: -42.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -551.224511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.224511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.224511 (E_RNA)
where:
Base-Base interactions energy: -341.593
where: short stacking energy: -175.933
Base-Backbone interact. energy: 0.770
local terms energy: -210.401861
where:
bonds (distance) C4'-P energy: -46.108
bonds (distance) P-C4' energy: -52.735
flat angles C4'-P-C4' energy: -46.381
flat angles P-C4'-P energy: -35.801
tors. eta vs tors. theta energy: -29.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -421.566151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.566151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.566151 (E_RNA)
where:
Base-Base interactions energy: -229.935
where: short stacking energy: -123.596
Base-Backbone interact. energy: 0.409
local terms energy: -192.039729
where:
bonds (distance) C4'-P energy: -55.150
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -39.909
flat angles P-C4'-P energy: -32.873
tors. eta vs tors. theta energy: -7.614
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: 454
Temperature: 0.900000
Total energy: -1160.477713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.477713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.477713 (E_RNA)
where:
Base-Base interactions energy: -829.472
where: short stacking energy: -340.806
Base-Backbone interact. energy: -1.101
local terms energy: -329.904773
where:
bonds (distance) C4'-P energy: -59.831
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -73.096
flat angles P-C4'-P energy: -45.887
tors. eta vs tors. theta energy: -89.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1076.370181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.370181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.370181 (E_RNA)
where:
Base-Base interactions energy: -749.392
where: short stacking energy: -319.817
Base-Backbone interact. energy: -1.905
local terms energy: -325.072370
where:
bonds (distance) C4'-P energy: -53.369
bonds (distance) P-C4' energy: -62.850
flat angles C4'-P-C4' energy: -68.884
flat angles P-C4'-P energy: -41.302
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: 3, replica: 6
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1074.765339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.765339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.765339 (E_RNA)
where:
Base-Base interactions energy: -767.319
where: short stacking energy: -320.820
Base-Backbone interact. energy: -0.784
local terms energy: -306.662842
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -60.774
flat angles C4'-P-C4' energy: -68.407
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -94.574
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: 1
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1022.892538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.892538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.892538 (E_RNA)
where:
Base-Base interactions energy: -701.454
where: short stacking energy: -310.043
Base-Backbone interact. energy: -1.093
local terms energy: -320.345514
where:
bonds (distance) C4'-P energy: -64.680
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -63.920
flat angles P-C4'-P energy: -39.026
tors. eta vs tors. theta energy: -89.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -986.244374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.244374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.244374 (E_RNA)
where:
Base-Base interactions energy: -693.181
where: short stacking energy: -302.667
Base-Backbone interact. energy: -1.676
local terms energy: -291.388062
where:
bonds (distance) C4'-P energy: -58.374
bonds (distance) P-C4' energy: -62.697
flat angles C4'-P-C4' energy: -59.700
flat angles P-C4'-P energy: -29.512
tors. eta vs tors. theta energy: -81.105
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: 9
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -877.952587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.952587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.952587 (E_RNA)
where:
Base-Base interactions energy: -609.977
where: short stacking energy: -265.907
Base-Backbone interact. energy: 1.452
local terms energy: -269.427303
where:
bonds (distance) C4'-P energy: -54.452
bonds (distance) P-C4' energy: -49.470
flat angles C4'-P-C4' energy: -63.950
flat angles P-C4'-P energy: -30.362
tors. eta vs tors. theta energy: -71.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -769.583880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.583880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.583880 (E_RNA)
where:
Base-Base interactions energy: -508.523
where: short stacking energy: -216.007
Base-Backbone interact. energy: -1.618
local terms energy: -259.442970
where:
bonds (distance) C4'-P energy: -55.738
bonds (distance) P-C4' energy: -58.328
flat angles C4'-P-C4' energy: -56.074
flat angles P-C4'-P energy: -38.881
tors. eta vs tors. theta energy: -50.422
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: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -685.750077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.750077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.750077 (E_RNA)
where:
Base-Base interactions energy: -454.517
where: short stacking energy: -207.264
Base-Backbone interact. energy: -0.698
local terms energy: -230.535075
where:
bonds (distance) C4'-P energy: -33.949
bonds (distance) P-C4' energy: -59.367
flat angles C4'-P-C4' energy: -56.589
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -46.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -574.963721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.963721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.963721 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -163.910
Base-Backbone interact. energy: -0.638
local terms energy: -223.887720
where:
bonds (distance) C4'-P energy: -51.710
bonds (distance) P-C4' energy: -48.450
flat angles C4'-P-C4' energy: -51.487
flat angles P-C4'-P energy: -33.584
tors. eta vs tors. theta energy: -38.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -477.625015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.625015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.625015 (E_RNA)
where:
Base-Base interactions energy: -283.204
where: short stacking energy: -143.513
Base-Backbone interact. energy: 0.161
local terms energy: -194.581744
where:
bonds (distance) C4'-P energy: -49.985
bonds (distance) P-C4' energy: -49.532
flat angles C4'-P-C4' energy: -47.389
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -26.988
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: 455
Temperature: 0.900000
Total energy: -1155.805883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.805883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.805883 (E_RNA)
where:
Base-Base interactions energy: -827.521
where: short stacking energy: -335.267
Base-Backbone interact. energy: -0.103
local terms energy: -328.181470
where:
bonds (distance) C4'-P energy: -63.934
bonds (distance) P-C4' energy: -65.261
flat angles C4'-P-C4' energy: -67.749
flat angles P-C4'-P energy: -38.662
tors. eta vs tors. theta energy: -92.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1077.874050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.874050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.874050 (E_RNA)
where:
Base-Base interactions energy: -755.074
where: short stacking energy: -297.718
Base-Backbone interact. energy: -2.650
local terms energy: -320.150279
where:
bonds (distance) C4'-P energy: -63.130
bonds (distance) P-C4' energy: -56.373
flat angles C4'-P-C4' energy: -72.580
flat angles P-C4'-P energy: -44.450
tors. eta vs tors. theta energy: -83.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1065.894766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.894766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.894766 (E_RNA)
where:
Base-Base interactions energy: -768.754
where: short stacking energy: -322.431
Base-Backbone interact. energy: -1.169
local terms energy: -295.971498
where:
bonds (distance) C4'-P energy: -41.240
bonds (distance) P-C4' energy: -42.812
flat angles C4'-P-C4' energy: -68.308
flat angles P-C4'-P energy: -46.877
tors. eta vs tors. theta energy: -96.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1046.092630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.092630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.092630 (E_RNA)
where:
Base-Base interactions energy: -737.814
where: short stacking energy: -302.845
Base-Backbone interact. energy: 1.520
local terms energy: -309.799113
where:
bonds (distance) C4'-P energy: -60.004
bonds (distance) P-C4' energy: -62.922
flat angles C4'-P-C4' energy: -61.257
flat angles P-C4'-P energy: -36.623
tors. eta vs tors. theta energy: -88.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -992.322721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.322721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.322721 (E_RNA)
where:
Base-Base interactions energy: -677.503
where: short stacking energy: -285.907
Base-Backbone interact. energy: -0.003
local terms energy: -314.816320
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -63.221
flat angles C4'-P-C4' energy: -66.494
flat angles P-C4'-P energy: -41.403
tors. eta vs tors. theta energy: -90.797
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: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -873.987110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.987110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.987110 (E_RNA)
where:
Base-Base interactions energy: -592.366
where: short stacking energy: -274.648
Base-Backbone interact. energy: -3.825
local terms energy: -277.796687
where:
bonds (distance) C4'-P energy: -55.935
bonds (distance) P-C4' energy: -54.663
flat angles C4'-P-C4' energy: -49.145
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -77.664
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: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -809.773012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.773012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.773012 (E_RNA)
where:
Base-Base interactions energy: -530.742
where: short stacking energy: -240.561
Base-Backbone interact. energy: -0.482
local terms energy: -278.548890
where:
bonds (distance) C4'-P energy: -53.858
bonds (distance) P-C4' energy: -59.978
flat angles C4'-P-C4' energy: -59.907
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -65.451
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: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -666.609493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.609493 (E_RNA)
where:
Base-Base interactions energy: -419.588
where: short stacking energy: -171.242
Base-Backbone interact. energy: -0.805
local terms energy: -246.216875
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -61.648
flat angles P-C4'-P energy: -35.711
tors. eta vs tors. theta energy: -33.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -550.452934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.452934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.452934 (E_RNA)
where:
Base-Base interactions energy: -338.244
where: short stacking energy: -171.349
Base-Backbone interact. energy: -0.422
local terms energy: -211.786381
where:
bonds (distance) C4'-P energy: -60.253
bonds (distance) P-C4' energy: -52.264
flat angles C4'-P-C4' energy: -50.241
flat angles P-C4'-P energy: -24.772
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -441.498545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.498545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.498545 (E_RNA)
where:
Base-Base interactions energy: -263.289
where: short stacking energy: -125.754
Base-Backbone interact. energy: -0.006
local terms energy: -178.203590
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -50.549
flat angles P-C4'-P energy: -27.971
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1170.100609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.100609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.100609 (E_RNA)
where:
Base-Base interactions energy: -842.185
where: short stacking energy: -335.994
Base-Backbone interact. energy: -1.258
local terms energy: -326.657350
where:
bonds (distance) C4'-P energy: -63.931
bonds (distance) P-C4' energy: -65.995
flat angles C4'-P-C4' energy: -70.981
flat angles P-C4'-P energy: -38.840
tors. eta vs tors. theta energy: -86.911
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: 6
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1101.230628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.230628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.230628 (E_RNA)
where:
Base-Base interactions energy: -770.286
where: short stacking energy: -323.980
Base-Backbone interact. energy: -2.489
local terms energy: -328.455312
where:
bonds (distance) C4'-P energy: -65.831
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -70.822
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -88.481
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: 456
Temperature: 1.000000
Total energy: -1072.414149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.414149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.414149 (E_RNA)
where:
Base-Base interactions energy: -754.711
where: short stacking energy: -323.250
Base-Backbone interact. energy: 1.222
local terms energy: -318.925666
where:
bonds (distance) C4'-P energy: -57.059
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -92.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1006.277607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.277607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.277607 (E_RNA)
where:
Base-Base interactions energy: -698.705
where: short stacking energy: -286.721
Base-Backbone interact. energy: -1.483
local terms energy: -306.089819
where:
bonds (distance) C4'-P energy: -59.701
bonds (distance) P-C4' energy: -58.195
flat angles C4'-P-C4' energy: -71.574
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -75.185
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: 456
Temperature: 1.100000
Total energy: -968.877920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.877920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.877920 (E_RNA)
where:
Base-Base interactions energy: -669.906
where: short stacking energy: -286.463
Base-Backbone interact. energy: -1.445
local terms energy: -297.527818
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -69.290
flat angles P-C4'-P energy: -30.396
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: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -889.282631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.282631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.282631 (E_RNA)
where:
Base-Base interactions energy: -600.264
where: short stacking energy: -272.427
Base-Backbone interact. energy: -1.060
local terms energy: -287.958991
where:
bonds (distance) C4'-P energy: -59.126
bonds (distance) P-C4' energy: -55.325
flat angles C4'-P-C4' energy: -53.015
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -71.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -790.629659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.629659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.629659 (E_RNA)
where:
Base-Base interactions energy: -541.596
where: short stacking energy: -241.801
Base-Backbone interact. energy: -0.552
local terms energy: -248.481866
where:
bonds (distance) C4'-P energy: -44.712
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -53.502
flat angles P-C4'-P energy: -42.383
tors. eta vs tors. theta energy: -61.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -654.977693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.977693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.977693 (E_RNA)
where:
Base-Base interactions energy: -415.074
where: short stacking energy: -198.416
Base-Backbone interact. energy: 0.574
local terms energy: -240.478097
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -53.624
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -571.103510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.103510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.103510 (E_RNA)
where:
Base-Base interactions energy: -356.591
where: short stacking energy: -176.437
Base-Backbone interact. energy: -1.945
local terms energy: -212.566695
where:
bonds (distance) C4'-P energy: -58.934
bonds (distance) P-C4' energy: -45.928
flat angles C4'-P-C4' energy: -53.243
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -32.265
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: 7
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -428.043826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.043826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.043826 (E_RNA)
where:
Base-Base interactions energy: -263.945
where: short stacking energy: -143.290
Base-Backbone interact. energy: 2.842
local terms energy: -166.940780
where:
bonds (distance) C4'-P energy: -36.132
bonds (distance) P-C4' energy: -46.362
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -28.123
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1159.725517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.725517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.725517 (E_RNA)
where:
Base-Base interactions energy: -832.538
where: short stacking energy: -340.049
Base-Backbone interact. energy: 0.009
local terms energy: -327.196573
where:
bonds (distance) C4'-P energy: -61.361
bonds (distance) P-C4' energy: -67.702
flat angles C4'-P-C4' energy: -64.265
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -90.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1093.438386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.438386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.438386 (E_RNA)
where:
Base-Base interactions energy: -768.238
where: short stacking energy: -322.180
Base-Backbone interact. energy: -1.752
local terms energy: -323.449058
where:
bonds (distance) C4'-P energy: -57.288
bonds (distance) P-C4' energy: -55.046
flat angles C4'-P-C4' energy: -66.733
flat angles P-C4'-P energy: -50.036
tors. eta vs tors. theta energy: -94.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1106.207424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.207424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.207424 (E_RNA)
where:
Base-Base interactions energy: -782.349
where: short stacking energy: -320.884
Base-Backbone interact. energy: -1.137
local terms energy: -322.721364
where:
bonds (distance) C4'-P energy: -55.475
bonds (distance) P-C4' energy: -58.786
flat angles C4'-P-C4' energy: -68.951
flat angles P-C4'-P energy: -48.621
tors. eta vs tors. theta energy: -90.888
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: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -994.917704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.917704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.917704 (E_RNA)
where:
Base-Base interactions energy: -698.238
where: short stacking energy: -300.864
Base-Backbone interact. energy: -0.409
local terms energy: -296.271034
where:
bonds (distance) C4'-P energy: -44.155
bonds (distance) P-C4' energy: -61.865
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -84.104
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: 457
Temperature: 1.100000
Total energy: -952.304116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.304116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.304116 (E_RNA)
where:
Base-Base interactions energy: -684.289
where: short stacking energy: -292.184
Base-Backbone interact. energy: 0.208
local terms energy: -268.222355
where:
bonds (distance) C4'-P energy: -49.755
bonds (distance) P-C4' energy: -45.826
flat angles C4'-P-C4' energy: -53.574
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -76.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -904.550877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.550877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.550877 (E_RNA)
where:
Base-Base interactions energy: -628.961
where: short stacking energy: -284.639
Base-Backbone interact. energy: -2.064
local terms energy: -273.525933
where:
bonds (distance) C4'-P energy: -53.016
bonds (distance) P-C4' energy: -55.834
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -71.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -791.564906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.564906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.564906 (E_RNA)
where:
Base-Base interactions energy: -539.169
where: short stacking energy: -231.764
Base-Backbone interact. energy: -0.051
local terms energy: -252.344614
where:
bonds (distance) C4'-P energy: -53.683
bonds (distance) P-C4' energy: -62.977
flat angles C4'-P-C4' energy: -66.311
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -44.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -631.956290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.956290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.956290 (E_RNA)
where:
Base-Base interactions energy: -413.402
where: short stacking energy: -184.352
Base-Backbone interact. energy: -0.656
local terms energy: -217.898069
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -54.742
flat angles C4'-P-C4' energy: -44.620
flat angles P-C4'-P energy: -36.445
tors. eta vs tors. theta energy: -27.226
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: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -532.099636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.099636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.099636 (E_RNA)
where:
Base-Base interactions energy: -326.172
where: short stacking energy: -146.666
Base-Backbone interact. energy: 1.845
local terms energy: -207.772122
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -49.050
flat angles C4'-P-C4' energy: -55.292
flat angles P-C4'-P energy: -26.676
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -475.706856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.706856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.706856 (E_RNA)
where:
Base-Base interactions energy: -263.420
where: short stacking energy: -141.573
Base-Backbone interact. energy: 1.823
local terms energy: -214.110186
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -64.470
flat angles C4'-P-C4' energy: -43.104
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: -21.303
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: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1162.292229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.292229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.292229 (E_RNA)
where:
Base-Base interactions energy: -851.857
where: short stacking energy: -344.763
Base-Backbone interact. energy: 0.678
local terms energy: -311.113228
where:
bonds (distance) C4'-P energy: -61.231
bonds (distance) P-C4' energy: -61.803
flat angles C4'-P-C4' energy: -64.928
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -87.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1085.181883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.181883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.181883 (E_RNA)
where:
Base-Base interactions energy: -758.751
where: short stacking energy: -315.942
Base-Backbone interact. energy: -1.257
local terms energy: -325.174316
where:
bonds (distance) C4'-P energy: -65.097
bonds (distance) P-C4' energy: -65.872
flat angles C4'-P-C4' energy: -69.269
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -85.416
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: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1114.260110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.260110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.260110 (E_RNA)
where:
Base-Base interactions energy: -805.524
where: short stacking energy: -311.420
Base-Backbone interact. energy: -1.077
local terms energy: -307.658708
where:
bonds (distance) C4'-P energy: -55.449
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -67.356
flat angles P-C4'-P energy: -37.421
tors. eta vs tors. theta energy: -91.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -996.587742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.587742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.587742 (E_RNA)
where:
Base-Base interactions energy: -696.172
where: short stacking energy: -302.217
Base-Backbone interact. energy: 0.795
local terms energy: -301.210448
where:
bonds (distance) C4'-P energy: -59.465
bonds (distance) P-C4' energy: -59.040
flat angles C4'-P-C4' energy: -55.730
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -84.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -987.251453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.251453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.251453 (E_RNA)
where:
Base-Base interactions energy: -679.279
where: short stacking energy: -304.252
Base-Backbone interact. energy: 0.290
local terms energy: -308.263022
where:
bonds (distance) C4'-P energy: -46.449
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -68.024
flat angles P-C4'-P energy: -47.595
tors. eta vs tors. theta energy: -88.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -912.375346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.375346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.375346 (E_RNA)
where:
Base-Base interactions energy: -623.192
where: short stacking energy: -267.429
Base-Backbone interact. energy: -0.714
local terms energy: -288.469399
where:
bonds (distance) C4'-P energy: -56.681
bonds (distance) P-C4' energy: -52.627
flat angles C4'-P-C4' energy: -62.321
flat angles P-C4'-P energy: -42.512
tors. eta vs tors. theta energy: -74.329
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: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -817.120863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.120863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.120863 (E_RNA)
where:
Base-Base interactions energy: -581.693
where: short stacking energy: -244.141
Base-Backbone interact. energy: -0.375
local terms energy: -235.053370
where:
bonds (distance) C4'-P energy: -41.718
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -53.891
flat angles P-C4'-P energy: -28.800
tors. eta vs tors. theta energy: -57.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -642.784742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.784742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.784742 (E_RNA)
where:
Base-Base interactions energy: -429.374
where: short stacking energy: -194.496
Base-Backbone interact. energy: -1.143
local terms energy: -212.268042
where:
bonds (distance) C4'-P energy: -55.979
bonds (distance) P-C4' energy: -52.539
flat angles C4'-P-C4' energy: -48.865
flat angles P-C4'-P energy: -23.230
tors. eta vs tors. theta energy: -31.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -447.149181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.149181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.149181 (E_RNA)
where:
Base-Base interactions energy: -256.281
where: short stacking energy: -153.204
Base-Backbone interact. energy: -2.531
local terms energy: -188.337475
where:
bonds (distance) C4'-P energy: -35.510
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -52.179
flat angles P-C4'-P energy: -29.179
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -507.911765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.911765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.911765 (E_RNA)
where:
Base-Base interactions energy: -310.898
where: short stacking energy: -141.212
Base-Backbone interact. energy: 0.716
local terms energy: -197.729151
where:
bonds (distance) C4'-P energy: -49.051
bonds (distance) P-C4' energy: -53.225
flat angles C4'-P-C4' energy: -51.978
flat angles P-C4'-P energy: -24.645
tors. eta vs tors. theta energy: -18.831
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: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1157.428615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.428615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.428615 (E_RNA)
where:
Base-Base interactions energy: -828.671
where: short stacking energy: -332.516
Base-Backbone interact. energy: 0.963
local terms energy: -329.721057
where:
bonds (distance) C4'-P energy: -60.535
bonds (distance) P-C4' energy: -62.978
flat angles C4'-P-C4' energy: -71.671
flat angles P-C4'-P energy: -45.961
tors. eta vs tors. theta energy: -88.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1109.709882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.709882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.709882 (E_RNA)
where:
Base-Base interactions energy: -787.360
where: short stacking energy: -319.882
Base-Backbone interact. energy: -2.081
local terms energy: -320.268731
where:
bonds (distance) C4'-P energy: -62.430
bonds (distance) P-C4' energy: -54.410
flat angles C4'-P-C4' energy: -67.572
flat angles P-C4'-P energy: -47.963
tors. eta vs tors. theta energy: -87.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1094.961358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.961358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.961358 (E_RNA)
where:
Base-Base interactions energy: -756.601
where: short stacking energy: -308.258
Base-Backbone interact. energy: -2.041
local terms energy: -336.319794
where:
bonds (distance) C4'-P energy: -60.854
bonds (distance) P-C4' energy: -67.293
flat angles C4'-P-C4' energy: -70.066
flat angles P-C4'-P energy: -41.634
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1015.970907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.970907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.970907 (E_RNA)
where:
Base-Base interactions energy: -721.171
where: short stacking energy: -307.481
Base-Backbone interact. energy: -0.122
local terms energy: -294.677966
where:
bonds (distance) C4'-P energy: -56.200
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -60.905
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: -84.801
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: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1000.017114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.017114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.017114 (E_RNA)
where:
Base-Base interactions energy: -679.057
where: short stacking energy: -317.944
Base-Backbone interact. energy: -0.119
local terms energy: -320.841054
where:
bonds (distance) C4'-P energy: -60.786
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -36.194
tors. eta vs tors. theta energy: -92.840
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: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -907.995722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.995722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.995722 (E_RNA)
where:
Base-Base interactions energy: -630.186
where: short stacking energy: -264.819
Base-Backbone interact. energy: 2.181
local terms energy: -279.990614
where:
bonds (distance) C4'-P energy: -55.644
bonds (distance) P-C4' energy: -54.687
flat angles C4'-P-C4' energy: -48.840
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -77.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -787.446394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.446394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.446394 (E_RNA)
where:
Base-Base interactions energy: -524.375
where: short stacking energy: -228.223
Base-Backbone interact. energy: -1.410
local terms energy: -261.661313
where:
bonds (distance) C4'-P energy: -50.217
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -56.860
flat angles P-C4'-P energy: -34.299
tors. eta vs tors. theta energy: -51.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -644.213540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.213540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.213540 (E_RNA)
where:
Base-Base interactions energy: -420.165
where: short stacking energy: -196.244
Base-Backbone interact. energy: -1.160
local terms energy: -222.888924
where:
bonds (distance) C4'-P energy: -48.637
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -42.206
flat angles P-C4'-P energy: -45.590
tors. eta vs tors. theta energy: -40.203
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: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -453.128795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.128795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.128795 (E_RNA)
where:
Base-Base interactions energy: -254.755
where: short stacking energy: -142.222
Base-Backbone interact. energy: 2.541
local terms energy: -200.914289
where:
bonds (distance) C4'-P energy: -55.930
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -30.809
tors. eta vs tors. theta energy: -13.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -516.862844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.862844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.862844 (E_RNA)
where:
Base-Base interactions energy: -314.695
where: short stacking energy: -137.697
Base-Backbone interact. energy: 1.218
local terms energy: -203.386243
where:
bonds (distance) C4'-P energy: -47.978
bonds (distance) P-C4' energy: -48.022
flat angles C4'-P-C4' energy: -55.644
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -20.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1158.825175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.825175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.825175 (E_RNA)
where:
Base-Base interactions energy: -829.410
where: short stacking energy: -341.238
Base-Backbone interact. energy: -0.856
local terms energy: -328.559438
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -66.612
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -45.626
tors. eta vs tors. theta energy: -90.321
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: 2, replica: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1126.303016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.303016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.303016 (E_RNA)
where:
Base-Base interactions energy: -794.953
where: short stacking energy: -324.541
Base-Backbone interact. energy: -0.511
local terms energy: -330.839779
where:
bonds (distance) C4'-P energy: -63.088
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -66.025
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -98.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1086.141466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.141466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.141466 (E_RNA)
where:
Base-Base interactions energy: -771.138
where: short stacking energy: -317.946
Base-Backbone interact. energy: -0.544
local terms energy: -314.459215
where:
bonds (distance) C4'-P energy: -58.882
bonds (distance) P-C4' energy: -61.332
flat angles C4'-P-C4' energy: -59.763
flat angles P-C4'-P energy: -38.737
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: 4, replica: 1
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1034.215509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.215509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.215509 (E_RNA)
where:
Base-Base interactions energy: -719.774
where: short stacking energy: -306.911
Base-Backbone interact. energy: -1.353
local terms energy: -313.088864
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -59.354
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -92.233
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: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -954.989582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.989582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.989582 (E_RNA)
where:
Base-Base interactions energy: -662.942
where: short stacking energy: -290.967
Base-Backbone interact. energy: -1.186
local terms energy: -290.860960
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -53.521
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -32.463
tors. eta vs tors. theta energy: -82.826
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: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -928.223768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.223768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.223768 (E_RNA)
where:
Base-Base interactions energy: -659.434
where: short stacking energy: -279.842
Base-Backbone interact. energy: 0.243
local terms energy: -269.032572
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -48.780
flat angles C4'-P-C4' energy: -63.945
flat angles P-C4'-P energy: -32.985
tors. eta vs tors. theta energy: -72.362
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: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -810.168660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.168660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.168660 (E_RNA)
where:
Base-Base interactions energy: -561.726
where: short stacking energy: -240.260
Base-Backbone interact. energy: -0.438
local terms energy: -248.004990
where:
bonds (distance) C4'-P energy: -43.149
bonds (distance) P-C4' energy: -58.287
flat angles C4'-P-C4' energy: -54.405
flat angles P-C4'-P energy: -27.510
tors. eta vs tors. theta energy: -64.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -677.879612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.879612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.879612 (E_RNA)
where:
Base-Base interactions energy: -459.548
where: short stacking energy: -198.115
Base-Backbone interact. energy: -0.826
local terms energy: -217.504787
where:
bonds (distance) C4'-P energy: -51.261
bonds (distance) P-C4' energy: -50.018
flat angles C4'-P-C4' energy: -48.868
flat angles P-C4'-P energy: -24.755
tors. eta vs tors. theta energy: -42.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -539.038001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.038001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.038001 (E_RNA)
where:
Base-Base interactions energy: -336.398
where: short stacking energy: -148.110
Base-Backbone interact. energy: 3.334
local terms energy: -205.973508
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -50.802
flat angles C4'-P-C4' energy: -51.812
flat angles P-C4'-P energy: -37.113
tors. eta vs tors. theta energy: -10.790
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -433.171358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.171358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.171358 (E_RNA)
where:
Base-Base interactions energy: -232.096
where: short stacking energy: -116.454
Base-Backbone interact. energy: -1.066
local terms energy: -200.009691
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -52.710
flat angles C4'-P-C4' energy: -43.910
flat angles P-C4'-P energy: -40.765
tors. eta vs tors. theta energy: -11.959
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: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1170.898480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.898480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.898480 (E_RNA)
where:
Base-Base interactions energy: -835.468
where: short stacking energy: -343.208
Base-Backbone interact. energy: -1.382
local terms energy: -334.049121
where:
bonds (distance) C4'-P energy: -62.358
bonds (distance) P-C4' energy: -66.852
flat angles C4'-P-C4' energy: -70.754
flat angles P-C4'-P energy: -43.665
tors. eta vs tors. theta energy: -90.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1103.969416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.969416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.969416 (E_RNA)
where:
Base-Base interactions energy: -796.881
where: short stacking energy: -325.481
Base-Backbone interact. energy: -1.022
local terms energy: -306.065891
where:
bonds (distance) C4'-P energy: -52.914
bonds (distance) P-C4' energy: -69.016
flat angles C4'-P-C4' energy: -63.298
flat angles P-C4'-P energy: -32.281
tors. eta vs tors. theta energy: -88.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1092.963180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.963180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.963180 (E_RNA)
where:
Base-Base interactions energy: -753.525
where: short stacking energy: -313.733
Base-Backbone interact. energy: -5.118
local terms energy: -334.319875
where:
bonds (distance) C4'-P energy: -61.589
bonds (distance) P-C4' energy: -66.662
flat angles C4'-P-C4' energy: -69.166
flat angles P-C4'-P energy: -42.287
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: 4, replica: 1
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1024.260553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.260553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.260553 (E_RNA)
where:
Base-Base interactions energy: -720.051
where: short stacking energy: -311.765
Base-Backbone interact. energy: -0.908
local terms energy: -303.301688
where:
bonds (distance) C4'-P energy: -53.800
bonds (distance) P-C4' energy: -60.429
flat angles C4'-P-C4' energy: -63.090
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -82.914
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: 461
Temperature: 1.100000
Total energy: -978.191349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.191349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.191349 (E_RNA)
where:
Base-Base interactions energy: -661.332
where: short stacking energy: -289.855
Base-Backbone interact. energy: -2.414
local terms energy: -314.445098
where:
bonds (distance) C4'-P energy: -60.770
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -64.882
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -83.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -898.222007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.222007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.222007 (E_RNA)
where:
Base-Base interactions energy: -611.205
where: short stacking energy: -262.252
Base-Backbone interact. energy: -0.389
local terms energy: -286.628185
where:
bonds (distance) C4'-P energy: -53.179
bonds (distance) P-C4' energy: -57.931
flat angles C4'-P-C4' energy: -58.970
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -73.481
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: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -822.255831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.255831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.255831 (E_RNA)
where:
Base-Base interactions energy: -564.542
where: short stacking energy: -230.172
Base-Backbone interact. energy: 3.801
local terms energy: -261.515263
where:
bonds (distance) C4'-P energy: -49.600
bonds (distance) P-C4' energy: -63.425
flat angles C4'-P-C4' energy: -55.195
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -54.924
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: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -666.258196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.258196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.258196 (E_RNA)
where:
Base-Base interactions energy: -439.252
where: short stacking energy: -211.844
Base-Backbone interact. energy: -1.203
local terms energy: -225.803574
where:
bonds (distance) C4'-P energy: -65.293
bonds (distance) P-C4' energy: -39.964
flat angles C4'-P-C4' energy: -52.778
flat angles P-C4'-P energy: -25.065
tors. eta vs tors. theta energy: -42.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -614.338823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.338823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.338823 (E_RNA)
where:
Base-Base interactions energy: -396.892
where: short stacking energy: -174.956
Base-Backbone interact. energy: 1.359
local terms energy: -218.805606
where:
bonds (distance) C4'-P energy: -58.441
bonds (distance) P-C4' energy: -50.510
flat angles C4'-P-C4' energy: -54.577
flat angles P-C4'-P energy: -29.205
tors. eta vs tors. theta energy: -26.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -420.439882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.439882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.439882 (E_RNA)
where:
Base-Base interactions energy: -246.638
where: short stacking energy: -133.106
Base-Backbone interact. energy: 0.251
local terms energy: -174.053074
where:
bonds (distance) C4'-P energy: -31.482
bonds (distance) P-C4' energy: -45.543
flat angles C4'-P-C4' energy: -40.342
flat angles P-C4'-P energy: -34.080
tors. eta vs tors. theta energy: -22.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1139.899847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.899847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.899847 (E_RNA)
where:
Base-Base interactions energy: -803.653
where: short stacking energy: -328.960
Base-Backbone interact. energy: -0.680
local terms energy: -335.567285
where:
bonds (distance) C4'-P energy: -57.500
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -69.656
flat angles P-C4'-P energy: -43.816
tors. eta vs tors. theta energy: -97.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1133.665103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.665103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.665103 (E_RNA)
where:
Base-Base interactions energy: -807.230
where: short stacking energy: -330.480
Base-Backbone interact. energy: -0.858
local terms energy: -325.577337
where:
bonds (distance) C4'-P energy: -62.942
bonds (distance) P-C4' energy: -57.642
flat angles C4'-P-C4' energy: -69.556
flat angles P-C4'-P energy: -48.784
tors. eta vs tors. theta energy: -86.654
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: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1077.927460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.927460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.927460 (E_RNA)
where:
Base-Base interactions energy: -753.835
where: short stacking energy: -312.296
Base-Backbone interact. energy: -3.484
local terms energy: -320.609153
where:
bonds (distance) C4'-P energy: -61.243
bonds (distance) P-C4' energy: -60.841
flat angles C4'-P-C4' energy: -68.159
flat angles P-C4'-P energy: -36.570
tors. eta vs tors. theta energy: -93.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1003.189267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.189267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.189267 (E_RNA)
where:
Base-Base interactions energy: -698.027
where: short stacking energy: -289.936
Base-Backbone interact. energy: -0.762
local terms energy: -304.399946
where:
bonds (distance) C4'-P energy: -52.816
bonds (distance) P-C4' energy: -51.907
flat angles C4'-P-C4' energy: -67.227
flat angles P-C4'-P energy: -45.313
tors. eta vs tors. theta energy: -87.138
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: 5, replica: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -975.959243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.959243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.959243 (E_RNA)
where:
Base-Base interactions energy: -696.140
where: short stacking energy: -294.087
Base-Backbone interact. energy: 0.360
local terms energy: -280.178744
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -45.381
flat angles C4'-P-C4' energy: -55.643
flat angles P-C4'-P energy: -38.511
tors. eta vs tors. theta energy: -85.752
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: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -914.942154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.942154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.942154 (E_RNA)
where:
Base-Base interactions energy: -624.694
where: short stacking energy: -275.777
Base-Backbone interact. energy: -0.007
local terms energy: -290.241043
where:
bonds (distance) C4'-P energy: -48.202
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -67.660
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -73.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -800.982046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.982046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.982046 (E_RNA)
where:
Base-Base interactions energy: -540.905
where: short stacking energy: -249.396
Base-Backbone interact. energy: -0.452
local terms energy: -259.624950
where:
bonds (distance) C4'-P energy: -40.624
bonds (distance) P-C4' energy: -44.019
flat angles C4'-P-C4' energy: -67.819
flat angles P-C4'-P energy: -47.449
tors. eta vs tors. theta energy: -59.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -693.185755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.185755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.185755 (E_RNA)
where:
Base-Base interactions energy: -456.629
where: short stacking energy: -190.901
Base-Backbone interact. energy: 0.143
local terms energy: -236.700157
where:
bonds (distance) C4'-P energy: -51.291
bonds (distance) P-C4' energy: -55.821
flat angles C4'-P-C4' energy: -58.152
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -40.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -601.063543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.063543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.063543 (E_RNA)
where:
Base-Base interactions energy: -396.988
where: short stacking energy: -196.287
Base-Backbone interact. energy: 0.237
local terms energy: -204.312258
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -49.332
flat angles C4'-P-C4' energy: -41.769
flat angles P-C4'-P energy: -33.416
tors. eta vs tors. theta energy: -31.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -392.928387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.928387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.928387 (E_RNA)
where:
Base-Base interactions energy: -205.037
where: short stacking energy: -111.528
Base-Backbone interact. energy: 0.578
local terms energy: -188.469276
where:
bonds (distance) C4'-P energy: -42.902
bonds (distance) P-C4' energy: -51.130
flat angles C4'-P-C4' energy: -57.413
flat angles P-C4'-P energy: -27.376
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1143.120657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.120657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.120657 (E_RNA)
where:
Base-Base interactions energy: -804.629
where: short stacking energy: -332.697
Base-Backbone interact. energy: -2.141
local terms energy: -336.350995
where:
bonds (distance) C4'-P energy: -61.335
bonds (distance) P-C4' energy: -66.471
flat angles C4'-P-C4' energy: -70.659
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -99.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1138.588484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.588484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.588484 (E_RNA)
where:
Base-Base interactions energy: -801.255
where: short stacking energy: -338.771
Base-Backbone interact. energy: -0.742
local terms energy: -336.591631
where:
bonds (distance) C4'-P energy: -62.988
bonds (distance) P-C4' energy: -57.471
flat angles C4'-P-C4' energy: -74.832
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -94.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1089.701718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.701718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.701718 (E_RNA)
where:
Base-Base interactions energy: -781.240
where: short stacking energy: -334.505
Base-Backbone interact. energy: 1.185
local terms energy: -309.646665
where:
bonds (distance) C4'-P energy: -48.034
bonds (distance) P-C4' energy: -56.995
flat angles C4'-P-C4' energy: -75.445
flat angles P-C4'-P energy: -34.179
tors. eta vs tors. theta energy: -94.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -991.499294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.499294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.499294 (E_RNA)
where:
Base-Base interactions energy: -698.667
where: short stacking energy: -309.427
Base-Backbone interact. energy: 2.349
local terms energy: -295.181561
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -55.983
flat angles P-C4'-P energy: -41.617
tors. eta vs tors. theta energy: -86.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -956.380472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.380472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.380472 (E_RNA)
where:
Base-Base interactions energy: -667.401
where: short stacking energy: -301.675
Base-Backbone interact. energy: -0.348
local terms energy: -288.631459
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -67.027
flat angles P-C4'-P energy: -42.264
tors. eta vs tors. theta energy: -83.946
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: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -911.365308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.365308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.365308 (E_RNA)
where:
Base-Base interactions energy: -643.874
where: short stacking energy: -268.265
Base-Backbone interact. energy: 0.468
local terms energy: -267.960043
where:
bonds (distance) C4'-P energy: -45.982
bonds (distance) P-C4' energy: -59.527
flat angles C4'-P-C4' energy: -62.318
flat angles P-C4'-P energy: -39.522
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: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -803.387284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.387284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.387284 (E_RNA)
where:
Base-Base interactions energy: -546.360
where: short stacking energy: -228.908
Base-Backbone interact. energy: 0.082
local terms energy: -257.109855
where:
bonds (distance) C4'-P energy: -53.543
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -60.183
flat angles P-C4'-P energy: -32.566
tors. eta vs tors. theta energy: -57.558
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: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -641.833016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.833016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.833016 (E_RNA)
where:
Base-Base interactions energy: -408.034
where: short stacking energy: -183.063
Base-Backbone interact. energy: -1.163
local terms energy: -232.636511
where:
bonds (distance) C4'-P energy: -45.357
bonds (distance) P-C4' energy: -62.481
flat angles C4'-P-C4' energy: -53.765
flat angles P-C4'-P energy: -33.375
tors. eta vs tors. theta energy: -37.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -601.772050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.772050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.772050 (E_RNA)
where:
Base-Base interactions energy: -379.506
where: short stacking energy: -176.376
Base-Backbone interact. energy: 0.867
local terms energy: -223.132977
where:
bonds (distance) C4'-P energy: -47.146
bonds (distance) P-C4' energy: -51.420
flat angles C4'-P-C4' energy: -52.562
flat angles P-C4'-P energy: -33.555
tors. eta vs tors. theta energy: -38.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -393.509744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.509744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.509744 (E_RNA)
where:
Base-Base interactions energy: -216.321
where: short stacking energy: -108.426
Base-Backbone interact. energy: -0.454
local terms energy: -176.734362
where:
bonds (distance) C4'-P energy: -46.911
bonds (distance) P-C4' energy: -56.536
flat angles C4'-P-C4' energy: -51.802
flat angles P-C4'-P energy: -21.012
tors. eta vs tors. theta energy: -0.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1167.257037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.257037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.257037 (E_RNA)
where:
Base-Base interactions energy: -840.858
where: short stacking energy: -353.500
Base-Backbone interact. energy: -0.376
local terms energy: -326.023818
where:
bonds (distance) C4'-P energy: -60.609
bonds (distance) P-C4' energy: -54.661
flat angles C4'-P-C4' energy: -74.046
flat angles P-C4'-P energy: -37.630
tors. eta vs tors. theta energy: -99.079
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: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1131.467216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.467216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.467216 (E_RNA)
where:
Base-Base interactions energy: -818.989
where: short stacking energy: -345.299
Base-Backbone interact. energy: -2.302
local terms energy: -310.175357
where:
bonds (distance) C4'-P energy: -58.801
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -64.202
flat angles P-C4'-P energy: -40.783
tors. eta vs tors. theta energy: -95.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1064.101716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.101716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.101716 (E_RNA)
where:
Base-Base interactions energy: -759.052
where: short stacking energy: -316.283
Base-Backbone interact. energy: -2.058
local terms energy: -302.991805
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -50.996
flat angles C4'-P-C4' energy: -63.564
flat angles P-C4'-P energy: -41.462
tors. eta vs tors. theta energy: -96.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1027.547189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.547189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.547189 (E_RNA)
where:
Base-Base interactions energy: -714.959
where: short stacking energy: -310.799
Base-Backbone interact. energy: -1.211
local terms energy: -311.377565
where:
bonds (distance) C4'-P energy: -62.012
bonds (distance) P-C4' energy: -56.158
flat angles C4'-P-C4' energy: -68.521
flat angles P-C4'-P energy: -39.938
tors. eta vs tors. theta energy: -84.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -969.786659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.786659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.786659 (E_RNA)
where:
Base-Base interactions energy: -664.296
where: short stacking energy: -298.865
Base-Backbone interact. energy: -0.300
local terms energy: -305.190789
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -62.515
flat angles C4'-P-C4' energy: -66.775
flat angles P-C4'-P energy: -41.108
tors. eta vs tors. theta energy: -82.184
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: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -884.596210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.596210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.596210 (E_RNA)
where:
Base-Base interactions energy: -593.277
where: short stacking energy: -261.247
Base-Backbone interact. energy: -1.225
local terms energy: -290.094210
where:
bonds (distance) C4'-P energy: -52.238
bonds (distance) P-C4' energy: -57.195
flat angles C4'-P-C4' energy: -68.706
flat angles P-C4'-P energy: -43.504
tors. eta vs tors. theta energy: -68.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -799.316682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.316682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.316682 (E_RNA)
where:
Base-Base interactions energy: -549.912
where: short stacking energy: -214.501
Base-Backbone interact. energy: -1.945
local terms energy: -247.459696
where:
bonds (distance) C4'-P energy: -47.588
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -33.800
tors. eta vs tors. theta energy: -57.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -637.125984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.125984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.125984 (E_RNA)
where:
Base-Base interactions energy: -410.038
where: short stacking energy: -178.571
Base-Backbone interact. energy: -1.159
local terms energy: -225.928693
where:
bonds (distance) C4'-P energy: -51.858
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -53.364
flat angles P-C4'-P energy: -26.770
tors. eta vs tors. theta energy: -41.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -604.002779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.002779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.002779 (E_RNA)
where:
Base-Base interactions energy: -386.991
where: short stacking energy: -175.298
Base-Backbone interact. energy: -1.342
local terms energy: -215.669870
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -43.683
flat angles C4'-P-C4' energy: -58.171
flat angles P-C4'-P energy: -31.221
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -398.519585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.519585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.519585 (E_RNA)
where:
Base-Base interactions energy: -212.475
where: short stacking energy: -119.926
Base-Backbone interact. energy: -0.554
local terms energy: -185.491296
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -48.921
flat angles C4'-P-C4' energy: -53.010
flat angles P-C4'-P energy: -24.282
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1159.445492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.445492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.445492 (E_RNA)
where:
Base-Base interactions energy: -837.564
where: short stacking energy: -330.801
Base-Backbone interact. energy: -1.245
local terms energy: -320.636778
where:
bonds (distance) C4'-P energy: -59.391
bonds (distance) P-C4' energy: -58.805
flat angles C4'-P-C4' energy: -61.108
flat angles P-C4'-P energy: -49.435
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: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1146.235745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.235745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.235745 (E_RNA)
where:
Base-Base interactions energy: -803.215
where: short stacking energy: -330.518
Base-Backbone interact. energy: 0.869
local terms energy: -343.890441
where:
bonds (distance) C4'-P energy: -58.790
bonds (distance) P-C4' energy: -64.054
flat angles C4'-P-C4' energy: -71.664
flat angles P-C4'-P energy: -50.623
tors. eta vs tors. theta energy: -98.760
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: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1087.377152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.377152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.377152 (E_RNA)
where:
Base-Base interactions energy: -777.264
where: short stacking energy: -324.243
Base-Backbone interact. energy: -2.974
local terms energy: -307.139563
where:
bonds (distance) C4'-P energy: -60.058
bonds (distance) P-C4' energy: -50.975
flat angles C4'-P-C4' energy: -63.941
flat angles P-C4'-P energy: -42.131
tors. eta vs tors. theta energy: -90.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1015.764141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.764141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.764141 (E_RNA)
where:
Base-Base interactions energy: -712.770
where: short stacking energy: -284.352
Base-Backbone interact. energy: -2.151
local terms energy: -300.842630
where:
bonds (distance) C4'-P energy: -63.898
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -57.191
flat angles P-C4'-P energy: -42.873
tors. eta vs tors. theta energy: -85.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -989.964736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.964736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.964736 (E_RNA)
where:
Base-Base interactions energy: -691.414
where: short stacking energy: -313.158
Base-Backbone interact. energy: -0.850
local terms energy: -297.701607
where:
bonds (distance) C4'-P energy: -58.811
bonds (distance) P-C4' energy: -57.765
flat angles C4'-P-C4' energy: -54.976
flat angles P-C4'-P energy: -39.170
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -877.169815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.169815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.169815 (E_RNA)
where:
Base-Base interactions energy: -604.903
where: short stacking energy: -258.547
Base-Backbone interact. energy: -0.974
local terms energy: -271.292706
where:
bonds (distance) C4'-P energy: -47.016
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -62.034
flat angles P-C4'-P energy: -45.750
tors. eta vs tors. theta energy: -70.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -801.432738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.432738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.432738 (E_RNA)
where:
Base-Base interactions energy: -540.604
where: short stacking energy: -237.284
Base-Backbone interact. energy: 1.967
local terms energy: -262.795322
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -57.272
flat angles C4'-P-C4' energy: -58.272
flat angles P-C4'-P energy: -44.681
tors. eta vs tors. theta energy: -59.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -646.405116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.405116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.405116 (E_RNA)
where:
Base-Base interactions energy: -429.478
where: short stacking energy: -220.846
Base-Backbone interact. energy: -0.074
local terms energy: -216.853137
where:
bonds (distance) C4'-P energy: -39.976
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -31.404
tors. eta vs tors. theta energy: -43.821
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: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -585.713561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.713561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.713561 (E_RNA)
where:
Base-Base interactions energy: -372.508
where: short stacking energy: -192.320
Base-Backbone interact. energy: -1.248
local terms energy: -211.957976
where:
bonds (distance) C4'-P energy: -40.880
bonds (distance) P-C4' energy: -45.150
flat angles C4'-P-C4' energy: -53.976
flat angles P-C4'-P energy: -29.969
tors. eta vs tors. theta energy: -41.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -433.281181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.281181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.281181 (E_RNA)
where:
Base-Base interactions energy: -239.975
where: short stacking energy: -139.176
Base-Backbone interact. energy: -0.635
local terms energy: -192.671259
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -56.482
flat angles C4'-P-C4' energy: -36.950
flat angles P-C4'-P energy: -22.825
tors. eta vs tors. theta energy: -26.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1168.994096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.994096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.994096 (E_RNA)
where:
Base-Base interactions energy: -837.965
where: short stacking energy: -350.831
Base-Backbone interact. energy: -0.271
local terms energy: -330.758926
where:
bonds (distance) C4'-P energy: -60.224
bonds (distance) P-C4' energy: -59.389
flat angles C4'-P-C4' energy: -73.412
flat angles P-C4'-P energy: -46.559
tors. eta vs tors. theta energy: -91.174
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: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1136.629853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.629853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.629853 (E_RNA)
where:
Base-Base interactions energy: -795.683
where: short stacking energy: -335.526
Base-Backbone interact. energy: -3.597
local terms energy: -337.349501
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -66.196
flat angles C4'-P-C4' energy: -73.432
flat angles P-C4'-P energy: -47.376
tors. eta vs tors. theta energy: -96.991
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: 466
Temperature: 1.000000
Total energy: -1081.478286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.478286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.478286 (E_RNA)
where:
Base-Base interactions energy: -779.003
where: short stacking energy: -318.452
Base-Backbone interact. energy: -2.644
local terms energy: -299.831617
where:
bonds (distance) C4'-P energy: -48.339
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -68.179
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -84.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1033.832734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.832734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.832734 (E_RNA)
where:
Base-Base interactions energy: -726.556
where: short stacking energy: -311.609
Base-Backbone interact. energy: -0.911
local terms energy: -306.365786
where:
bonds (distance) C4'-P energy: -58.243
bonds (distance) P-C4' energy: -51.938
flat angles C4'-P-C4' energy: -64.802
flat angles P-C4'-P energy: -45.361
tors. eta vs tors. theta energy: -86.022
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: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1005.349148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.349148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.349148 (E_RNA)
where:
Base-Base interactions energy: -695.144
where: short stacking energy: -316.460
Base-Backbone interact. energy: -2.873
local terms energy: -307.332229
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -51.289
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -43.150
tors. eta vs tors. theta energy: -93.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -877.546785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.546785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.546785 (E_RNA)
where:
Base-Base interactions energy: -632.758
where: short stacking energy: -278.131
Base-Backbone interact. energy: 1.700
local terms energy: -246.489015
where:
bonds (distance) C4'-P energy: -36.027
bonds (distance) P-C4' energy: -49.845
flat angles C4'-P-C4' energy: -53.946
flat angles P-C4'-P energy: -40.923
tors. eta vs tors. theta energy: -65.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -797.193351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.193351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.193351 (E_RNA)
where:
Base-Base interactions energy: -527.646
where: short stacking energy: -213.846
Base-Backbone interact. energy: -1.817
local terms energy: -267.729816
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -52.124
flat angles C4'-P-C4' energy: -63.288
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: -59.100
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: 8, replica: 8
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -687.805120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.805120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.805120 (E_RNA)
where:
Base-Base interactions energy: -452.217
where: short stacking energy: -202.348
Base-Backbone interact. energy: -1.098
local terms energy: -234.490275
where:
bonds (distance) C4'-P energy: -51.069
bonds (distance) P-C4' energy: -64.018
flat angles C4'-P-C4' energy: -47.566
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -47.499
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: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -612.817683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.817683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.817683 (E_RNA)
where:
Base-Base interactions energy: -412.770
where: short stacking energy: -173.435
Base-Backbone interact. energy: -0.281
local terms energy: -199.766187
where:
bonds (distance) C4'-P energy: -45.321
bonds (distance) P-C4' energy: -45.633
flat angles C4'-P-C4' energy: -46.132
flat angles P-C4'-P energy: -30.403
tors. eta vs tors. theta energy: -32.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -426.281373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.281373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.281373 (E_RNA)
where:
Base-Base interactions energy: -226.580
where: short stacking energy: -125.326
Base-Backbone interact. energy: -1.014
local terms energy: -198.686599
where:
bonds (distance) C4'-P energy: -41.314
bonds (distance) P-C4' energy: -51.832
flat angles C4'-P-C4' energy: -58.539
flat angles P-C4'-P energy: -31.769
tors. eta vs tors. theta energy: -15.232
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: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1174.439355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.439355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.439355 (E_RNA)
where:
Base-Base interactions energy: -857.560
where: short stacking energy: -351.508
Base-Backbone interact. energy: 1.034
local terms energy: -317.913121
where:
bonds (distance) C4'-P energy: -64.200
bonds (distance) P-C4' energy: -55.113
flat angles C4'-P-C4' energy: -63.946
flat angles P-C4'-P energy: -36.685
tors. eta vs tors. theta energy: -97.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1125.791239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.791239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.791239 (E_RNA)
where:
Base-Base interactions energy: -794.578
where: short stacking energy: -324.231
Base-Backbone interact. energy: -0.389
local terms energy: -330.824541
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -97.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1069.455099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.455099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.455099 (E_RNA)
where:
Base-Base interactions energy: -736.395
where: short stacking energy: -311.587
Base-Backbone interact. energy: -0.780
local terms energy: -332.280382
where:
bonds (distance) C4'-P energy: -49.812
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -69.443
flat angles P-C4'-P energy: -47.518
tors. eta vs tors. theta energy: -98.577
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: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1009.187499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.187499 (E_RNA)
where:
Base-Base interactions energy: -701.474
where: short stacking energy: -306.477
Base-Backbone interact. energy: -0.160
local terms energy: -307.554165
where:
bonds (distance) C4'-P energy: -58.803
bonds (distance) P-C4' energy: -58.427
flat angles C4'-P-C4' energy: -64.500
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -86.673
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: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -987.947354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.947354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.947354 (E_RNA)
where:
Base-Base interactions energy: -673.683
where: short stacking energy: -311.375
Base-Backbone interact. energy: -0.707
local terms energy: -313.557439
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -69.626
flat angles P-C4'-P energy: -47.990
tors. eta vs tors. theta energy: -92.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -865.912747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.912747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.912747 (E_RNA)
where:
Base-Base interactions energy: -607.717
where: short stacking energy: -271.700
Base-Backbone interact. energy: 1.178
local terms energy: -259.373860
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -50.352
flat angles C4'-P-C4' energy: -61.270
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -63.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -765.399139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.399139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.399139 (E_RNA)
where:
Base-Base interactions energy: -522.009
where: short stacking energy: -240.571
Base-Backbone interact. energy: 0.318
local terms energy: -243.708274
where:
bonds (distance) C4'-P energy: -53.639
bonds (distance) P-C4' energy: -51.442
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -34.013
tors. eta vs tors. theta energy: -53.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -673.285421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.285421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.285421 (E_RNA)
where:
Base-Base interactions energy: -451.018
where: short stacking energy: -218.344
Base-Backbone interact. energy: 0.405
local terms energy: -222.672978
where:
bonds (distance) C4'-P energy: -38.281
bonds (distance) P-C4' energy: -46.227
flat angles C4'-P-C4' energy: -52.946
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -44.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -614.363746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.363746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.363746 (E_RNA)
where:
Base-Base interactions energy: -383.466
where: short stacking energy: -159.796
Base-Backbone interact. energy: -1.138
local terms energy: -229.759923
where:
bonds (distance) C4'-P energy: -48.597
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -33.213
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: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -392.390696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.390696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.390696 (E_RNA)
where:
Base-Base interactions energy: -205.682
where: short stacking energy: -112.854
Base-Backbone interact. energy: -0.731
local terms energy: -185.976832
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -46.056
flat angles C4'-P-C4' energy: -44.385
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -10.226
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: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1167.939280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.939280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.939280 (E_RNA)
where:
Base-Base interactions energy: -831.404
where: short stacking energy: -348.684
Base-Backbone interact. energy: -1.373
local terms energy: -335.162286
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -67.995
flat angles P-C4'-P energy: -46.281
tors. eta vs tors. theta energy: -97.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1110.677110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.677110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.677110 (E_RNA)
where:
Base-Base interactions energy: -786.523
where: short stacking energy: -314.918
Base-Backbone interact. energy: -0.917
local terms energy: -323.237722
where:
bonds (distance) C4'-P energy: -50.420
bonds (distance) P-C4' energy: -64.919
flat angles C4'-P-C4' energy: -70.245
flat angles P-C4'-P energy: -41.611
tors. eta vs tors. theta energy: -96.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1077.383951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.383951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.383951 (E_RNA)
where:
Base-Base interactions energy: -770.266
where: short stacking energy: -326.235
Base-Backbone interact. energy: 0.347
local terms energy: -307.465445
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -48.402
flat angles C4'-P-C4' energy: -65.773
flat angles P-C4'-P energy: -46.686
tors. eta vs tors. theta energy: -91.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1021.306278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.306278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.306278 (E_RNA)
where:
Base-Base interactions energy: -730.740
where: short stacking energy: -296.231
Base-Backbone interact. energy: -0.371
local terms energy: -290.195462
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -54.873
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -79.401
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: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -974.051359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.051359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.051359 (E_RNA)
where:
Base-Base interactions energy: -666.768
where: short stacking energy: -313.049
Base-Backbone interact. energy: -0.739
local terms energy: -306.543925
where:
bonds (distance) C4'-P energy: -50.869
bonds (distance) P-C4' energy: -54.569
flat angles C4'-P-C4' energy: -69.517
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -86.681
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: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -877.434752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.434752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.434752 (E_RNA)
where:
Base-Base interactions energy: -615.182
where: short stacking energy: -255.650
Base-Backbone interact. energy: -1.280
local terms energy: -260.972189
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -55.200
flat angles C4'-P-C4' energy: -63.387
flat angles P-C4'-P energy: -30.808
tors. eta vs tors. theta energy: -59.141
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: 468
Temperature: 1.200000
Total energy: -780.656985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.656985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.656985 (E_RNA)
where:
Base-Base interactions energy: -536.487
where: short stacking energy: -219.338
Base-Backbone interact. energy: -1.047
local terms energy: -243.123118
where:
bonds (distance) C4'-P energy: -49.940
bonds (distance) P-C4' energy: -52.423
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -46.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -709.070348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.070348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.070348 (E_RNA)
where:
Base-Base interactions energy: -449.738
where: short stacking energy: -213.465
Base-Backbone interact. energy: -1.797
local terms energy: -257.534956
where:
bonds (distance) C4'-P energy: -56.666
bonds (distance) P-C4' energy: -56.431
flat angles C4'-P-C4' energy: -57.854
flat angles P-C4'-P energy: -34.978
tors. eta vs tors. theta energy: -51.606
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: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -587.869780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.869780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.869780 (E_RNA)
where:
Base-Base interactions energy: -370.736
where: short stacking energy: -176.088
Base-Backbone interact. energy: 0.687
local terms energy: -217.820964
where:
bonds (distance) C4'-P energy: -39.742
bonds (distance) P-C4' energy: -51.304
flat angles C4'-P-C4' energy: -53.597
flat angles P-C4'-P energy: -38.127
tors. eta vs tors. theta energy: -35.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -451.824239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.824239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.824239 (E_RNA)
where:
Base-Base interactions energy: -248.245
where: short stacking energy: -145.733
Base-Backbone interact. energy: -0.634
local terms energy: -202.944949
where:
bonds (distance) C4'-P energy: -39.604
bonds (distance) P-C4' energy: -53.321
flat angles C4'-P-C4' energy: -52.471
flat angles P-C4'-P energy: -36.835
tors. eta vs tors. theta energy: -20.715
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: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1180.674547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.674547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.674547 (E_RNA)
where:
Base-Base interactions energy: -847.849
where: short stacking energy: -344.528
Base-Backbone interact. energy: -0.901
local terms energy: -331.924933
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -40.441
tors. eta vs tors. theta energy: -93.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1118.646916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.646916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.646916 (E_RNA)
where:
Base-Base interactions energy: -792.684
where: short stacking energy: -337.313
Base-Backbone interact. energy: -0.309
local terms energy: -325.653193
where:
bonds (distance) C4'-P energy: -66.389
bonds (distance) P-C4' energy: -52.088
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -44.355
tors. eta vs tors. theta energy: -96.419
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: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1087.739694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.739694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.739694 (E_RNA)
where:
Base-Base interactions energy: -764.278
where: short stacking energy: -318.478
Base-Backbone interact. energy: 0.307
local terms energy: -323.768528
where:
bonds (distance) C4'-P energy: -58.780
bonds (distance) P-C4' energy: -57.299
flat angles C4'-P-C4' energy: -72.061
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -93.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1003.638516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.638516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.638516 (E_RNA)
where:
Base-Base interactions energy: -697.959
where: short stacking energy: -295.946
Base-Backbone interact. energy: 3.339
local terms energy: -309.018923
where:
bonds (distance) C4'-P energy: -48.966
bonds (distance) P-C4' energy: -61.063
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -89.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -995.203850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.203850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.203850 (E_RNA)
where:
Base-Base interactions energy: -683.893
where: short stacking energy: -294.853
Base-Backbone interact. energy: -1.181
local terms energy: -310.129736
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -50.944
flat angles C4'-P-C4' energy: -70.890
flat angles P-C4'-P energy: -44.548
tors. eta vs tors. theta energy: -88.162
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: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -869.778093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.778093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.778093 (E_RNA)
where:
Base-Base interactions energy: -599.260
where: short stacking energy: -268.762
Base-Backbone interact. energy: -1.006
local terms energy: -269.511316
where:
bonds (distance) C4'-P energy: -42.086
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -67.044
flat angles P-C4'-P energy: -38.166
tors. eta vs tors. theta energy: -66.967
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: 469
Temperature: 1.200000
Total energy: -798.195668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.195668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.195668 (E_RNA)
where:
Base-Base interactions energy: -535.904
where: short stacking energy: -227.828
Base-Backbone interact. energy: -0.168
local terms energy: -262.122843
where:
bonds (distance) C4'-P energy: -43.248
bonds (distance) P-C4' energy: -58.647
flat angles C4'-P-C4' energy: -63.106
flat angles P-C4'-P energy: -43.424
tors. eta vs tors. theta energy: -53.698
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: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -686.452615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.452615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.452615 (E_RNA)
where:
Base-Base interactions energy: -448.740
where: short stacking energy: -202.376
Base-Backbone interact. energy: -1.049
local terms energy: -236.664133
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -56.494
flat angles C4'-P-C4' energy: -54.303
flat angles P-C4'-P energy: -31.168
tors. eta vs tors. theta energy: -45.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -551.380546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.380546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.380546 (E_RNA)
where:
Base-Base interactions energy: -329.309
where: short stacking energy: -164.109
Base-Backbone interact. energy: -0.769
local terms energy: -221.302371
where:
bonds (distance) C4'-P energy: -49.604
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -51.359
flat angles P-C4'-P energy: -34.545
tors. eta vs tors. theta energy: -25.160
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: 469
Temperature: 1.350000
Total energy: -413.823165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.823165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.823165 (E_RNA)
where:
Base-Base interactions energy: -218.833
where: short stacking energy: -116.583
Base-Backbone interact. energy: -0.406
local terms energy: -194.584323
where:
bonds (distance) C4'-P energy: -58.975
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -50.891
flat angles P-C4'-P energy: -22.340
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1199.272038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.272038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.272038 (E_RNA)
where:
Base-Base interactions energy: -867.564
where: short stacking energy: -344.075
Base-Backbone interact. energy: -1.396
local terms energy: -330.311594
where:
bonds (distance) C4'-P energy: -61.455
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -71.565
flat angles P-C4'-P energy: -42.771
tors. eta vs tors. theta energy: -94.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1129.420454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.420454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.420454 (E_RNA)
where:
Base-Base interactions energy: -800.514
where: short stacking energy: -327.740
Base-Backbone interact. energy: -1.380
local terms energy: -327.526836
where:
bonds (distance) C4'-P energy: -58.113
bonds (distance) P-C4' energy: -66.953
flat angles C4'-P-C4' energy: -66.609
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -98.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1055.112974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.112974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.112974 (E_RNA)
where:
Base-Base interactions energy: -746.521
where: short stacking energy: -306.835
Base-Backbone interact. energy: -1.796
local terms energy: -306.795856
where:
bonds (distance) C4'-P energy: -54.827
bonds (distance) P-C4' energy: -56.016
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -88.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1015.443399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.443399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.443399 (E_RNA)
where:
Base-Base interactions energy: -731.485
where: short stacking energy: -322.439
Base-Backbone interact. energy: -0.609
local terms energy: -283.349951
where:
bonds (distance) C4'-P energy: -49.370
bonds (distance) P-C4' energy: -45.000
flat angles C4'-P-C4' energy: -65.136
flat angles P-C4'-P energy: -38.183
tors. eta vs tors. theta energy: -85.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -982.712987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.712987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.712987 (E_RNA)
where:
Base-Base interactions energy: -683.180
where: short stacking energy: -292.537
Base-Backbone interact. energy: -1.854
local terms energy: -297.679376
where:
bonds (distance) C4'-P energy: -52.706
bonds (distance) P-C4' energy: -44.490
flat angles C4'-P-C4' energy: -66.156
flat angles P-C4'-P energy: -43.941
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -864.915355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.915355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.915355 (E_RNA)
where:
Base-Base interactions energy: -604.428
where: short stacking energy: -253.308
Base-Backbone interact. energy: 1.508
local terms energy: -261.995239
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -30.955
tors. eta vs tors. theta energy: -55.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -807.632321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.632321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.632321 (E_RNA)
where:
Base-Base interactions energy: -545.031
where: short stacking energy: -223.121
Base-Backbone interact. energy: -0.061
local terms energy: -262.539760
where:
bonds (distance) C4'-P energy: -57.344
bonds (distance) P-C4' energy: -49.267
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -40.605
tors. eta vs tors. theta energy: -59.021
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: 470
Temperature: 1.250000
Total energy: -696.815680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.815680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.815680 (E_RNA)
where:
Base-Base interactions energy: -464.415
where: short stacking energy: -216.921
Base-Backbone interact. energy: -1.442
local terms energy: -230.958218
where:
bonds (distance) C4'-P energy: -53.180
bonds (distance) P-C4' energy: -40.876
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -29.795
tors. eta vs tors. theta energy: -43.668
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: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -580.438474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.438474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.438474 (E_RNA)
where:
Base-Base interactions energy: -360.821
where: short stacking energy: -181.991
Base-Backbone interact. energy: 0.304
local terms energy: -219.921305
where:
bonds (distance) C4'-P energy: -40.551
bonds (distance) P-C4' energy: -56.462
flat angles C4'-P-C4' energy: -50.862
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: -34.206
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: 470
Temperature: 1.350000
Total energy: -441.357793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.357793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.357793 (E_RNA)
where:
Base-Base interactions energy: -228.890
where: short stacking energy: -138.278
Base-Backbone interact. energy: -0.978
local terms energy: -211.490720
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -49.764
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1174.552180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.552180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.552180 (E_RNA)
where:
Base-Base interactions energy: -846.263
where: short stacking energy: -338.730
Base-Backbone interact. energy: -1.755
local terms energy: -326.534410
where:
bonds (distance) C4'-P energy: -63.232
bonds (distance) P-C4' energy: -61.763
flat angles C4'-P-C4' energy: -65.309
flat angles P-C4'-P energy: -48.187
tors. eta vs tors. theta energy: -88.044
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: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1126.653679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.653679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.653679 (E_RNA)
where:
Base-Base interactions energy: -802.376
where: short stacking energy: -322.560
Base-Backbone interact. energy: -1.087
local terms energy: -323.190407
where:
bonds (distance) C4'-P energy: -52.999
bonds (distance) P-C4' energy: -64.948
flat angles C4'-P-C4' energy: -65.794
flat angles P-C4'-P energy: -44.402
tors. eta vs tors. theta energy: -95.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1077.713034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.713034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.713034 (E_RNA)
where:
Base-Base interactions energy: -773.445
where: short stacking energy: -320.309
Base-Backbone interact. energy: 0.221
local terms energy: -304.488721
where:
bonds (distance) C4'-P energy: -57.170
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -66.783
flat angles P-C4'-P energy: -40.819
tors. eta vs tors. theta energy: -90.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1014.586728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.586728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.586728 (E_RNA)
where:
Base-Base interactions energy: -721.561
where: short stacking energy: -292.507
Base-Backbone interact. energy: -0.381
local terms energy: -292.645052
where:
bonds (distance) C4'-P energy: -58.626
bonds (distance) P-C4' energy: -51.958
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -41.061
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: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -968.857518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.857518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.857518 (E_RNA)
where:
Base-Base interactions energy: -651.909
where: short stacking energy: -269.939
Base-Backbone interact. energy: -1.061
local terms energy: -315.887268
where:
bonds (distance) C4'-P energy: -58.865
bonds (distance) P-C4' energy: -60.692
flat angles C4'-P-C4' energy: -66.397
flat angles P-C4'-P energy: -47.788
tors. eta vs tors. theta energy: -82.145
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: 471
Temperature: 1.150000
Total energy: -874.408807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.408807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.408807 (E_RNA)
where:
Base-Base interactions energy: -587.974
where: short stacking energy: -267.739
Base-Backbone interact. energy: -0.086
local terms energy: -286.348840
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -50.395
flat angles C4'-P-C4' energy: -70.128
flat angles P-C4'-P energy: -35.481
tors. eta vs tors. theta energy: -80.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -791.864057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.864057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.864057 (E_RNA)
where:
Base-Base interactions energy: -542.329
where: short stacking energy: -238.372
Base-Backbone interact. energy: -0.787
local terms energy: -248.747842
where:
bonds (distance) C4'-P energy: -50.912
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -59.242
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -53.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -660.899750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.899750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.899750 (E_RNA)
where:
Base-Base interactions energy: -424.883
where: short stacking energy: -189.775
Base-Backbone interact. energy: 0.884
local terms energy: -236.900884
where:
bonds (distance) C4'-P energy: -53.458
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -46.886
flat angles P-C4'-P energy: -41.494
tors. eta vs tors. theta energy: -39.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -550.586411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.586411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.586411 (E_RNA)
where:
Base-Base interactions energy: -345.657
where: short stacking energy: -170.578
Base-Backbone interact. energy: -0.818
local terms energy: -204.112099
where:
bonds (distance) C4'-P energy: -39.047
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -23.469
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -463.041477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.041477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.041477 (E_RNA)
where:
Base-Base interactions energy: -273.220
where: short stacking energy: -148.838
Base-Backbone interact. energy: -0.141
local terms energy: -189.680751
where:
bonds (distance) C4'-P energy: -47.305
bonds (distance) P-C4' energy: -43.655
flat angles C4'-P-C4' energy: -48.022
flat angles P-C4'-P energy: -34.400
tors. eta vs tors. theta energy: -16.298
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: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1175.854295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.854295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.854295 (E_RNA)
where:
Base-Base interactions energy: -857.618
where: short stacking energy: -339.193
Base-Backbone interact. energy: 0.468
local terms energy: -318.703698
where:
bonds (distance) C4'-P energy: -56.787
bonds (distance) P-C4' energy: -57.711
flat angles C4'-P-C4' energy: -69.134
flat angles P-C4'-P energy: -42.027
tors. eta vs tors. theta energy: -93.044
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: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1131.593339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.593339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.593339 (E_RNA)
where:
Base-Base interactions energy: -798.779
where: short stacking energy: -342.567
Base-Backbone interact. energy: 0.389
local terms energy: -333.202633
where:
bonds (distance) C4'-P energy: -56.538
bonds (distance) P-C4' energy: -59.837
flat angles C4'-P-C4' energy: -70.436
flat angles P-C4'-P energy: -48.014
tors. eta vs tors. theta energy: -98.377
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: 3, replica: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1074.290265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.290265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.290265 (E_RNA)
where:
Base-Base interactions energy: -764.845
where: short stacking energy: -319.745
Base-Backbone interact. energy: -0.390
local terms energy: -309.055120
where:
bonds (distance) C4'-P energy: -53.779
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -69.371
flat angles P-C4'-P energy: -44.306
tors. eta vs tors. theta energy: -86.339
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: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1027.342281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.342281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.342281 (E_RNA)
where:
Base-Base interactions energy: -709.379
where: short stacking energy: -293.252
Base-Backbone interact. energy: -0.691
local terms energy: -317.272405
where:
bonds (distance) C4'-P energy: -61.502
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -68.732
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -80.973
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: 5, replica: 5
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -954.740578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.740578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.740578 (E_RNA)
where:
Base-Base interactions energy: -659.011
where: short stacking energy: -287.234
Base-Backbone interact. energy: -0.816
local terms energy: -294.913904
where:
bonds (distance) C4'-P energy: -54.714
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -57.949
flat angles P-C4'-P energy: -48.591
tors. eta vs tors. theta energy: -76.667
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: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -879.146809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.146809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.146809 (E_RNA)
where:
Base-Base interactions energy: -614.277
where: short stacking energy: -271.371
Base-Backbone interact. energy: -0.875
local terms energy: -263.995477
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -51.649
flat angles C4'-P-C4' energy: -65.032
flat angles P-C4'-P energy: -23.562
tors. eta vs tors. theta energy: -73.688
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: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -827.578471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.578471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.578471 (E_RNA)
where:
Base-Base interactions energy: -569.017
where: short stacking energy: -241.896
Base-Backbone interact. energy: -0.163
local terms energy: -258.398358
where:
bonds (distance) C4'-P energy: -57.046
bonds (distance) P-C4' energy: -55.064
flat angles C4'-P-C4' energy: -52.504
flat angles P-C4'-P energy: -36.046
tors. eta vs tors. theta energy: -57.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -683.372301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.372301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.372301 (E_RNA)
where:
Base-Base interactions energy: -442.108
where: short stacking energy: -220.406
Base-Backbone interact. energy: 3.362
local terms energy: -244.625995
where:
bonds (distance) C4'-P energy: -42.673
bonds (distance) P-C4' energy: -57.544
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -570.429232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.429232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.429232 (E_RNA)
where:
Base-Base interactions energy: -362.841
where: short stacking energy: -168.818
Base-Backbone interact. energy: -0.691
local terms energy: -206.896374
where:
bonds (distance) C4'-P energy: -48.969
bonds (distance) P-C4' energy: -43.757
flat angles C4'-P-C4' energy: -58.774
flat angles P-C4'-P energy: -17.034
tors. eta vs tors. theta energy: -38.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -445.764796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.764796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.764796 (E_RNA)
where:
Base-Base interactions energy: -247.057
where: short stacking energy: -123.096
Base-Backbone interact. energy: -1.985
local terms energy: -196.722848
where:
bonds (distance) C4'-P energy: -47.505
bonds (distance) P-C4' energy: -48.272
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -28.336
tors. eta vs tors. theta energy: -21.147
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: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1166.998773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.998773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.998773 (E_RNA)
where:
Base-Base interactions energy: -826.615
where: short stacking energy: -347.294
Base-Backbone interact. energy: -1.300
local terms energy: -339.083814
where:
bonds (distance) C4'-P energy: -63.233
bonds (distance) P-C4' energy: -61.116
flat angles C4'-P-C4' energy: -73.128
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -97.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1150.159604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.159604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.159604 (E_RNA)
where:
Base-Base interactions energy: -823.167
where: short stacking energy: -332.684
Base-Backbone interact. energy: -1.021
local terms energy: -325.972050
where:
bonds (distance) C4'-P energy: -58.484
bonds (distance) P-C4' energy: -61.294
flat angles C4'-P-C4' energy: -66.823
flat angles P-C4'-P energy: -37.369
tors. eta vs tors. theta energy: -102.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1063.403434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.403434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.403434 (E_RNA)
where:
Base-Base interactions energy: -737.772
where: short stacking energy: -321.703
Base-Backbone interact. energy: -0.524
local terms energy: -325.106625
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -63.524
flat angles C4'-P-C4' energy: -64.846
flat angles P-C4'-P energy: -46.934
tors. eta vs tors. theta energy: -91.611
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -986.927380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.927380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.927380 (E_RNA)
where:
Base-Base interactions energy: -689.267
where: short stacking energy: -298.622
Base-Backbone interact. energy: -1.370
local terms energy: -296.290935
where:
bonds (distance) C4'-P energy: -44.567
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -86.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1003.710288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.710288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.710288 (E_RNA)
where:
Base-Base interactions energy: -716.825
where: short stacking energy: -305.710
Base-Backbone interact. energy: -0.975
local terms energy: -285.910029
where:
bonds (distance) C4'-P energy: -50.071
bonds (distance) P-C4' energy: -35.354
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -45.279
tors. eta vs tors. theta energy: -90.924
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: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -869.300649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.300649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.300649 (E_RNA)
where:
Base-Base interactions energy: -607.994
where: short stacking energy: -250.156
Base-Backbone interact. energy: -0.055
local terms energy: -261.252032
where:
bonds (distance) C4'-P energy: -50.842
bonds (distance) P-C4' energy: -50.218
flat angles C4'-P-C4' energy: -58.471
flat angles P-C4'-P energy: -37.453
tors. eta vs tors. theta energy: -64.268
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: 473
Temperature: 1.200000
Total energy: -803.106379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.106379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.106379 (E_RNA)
where:
Base-Base interactions energy: -535.378
where: short stacking energy: -225.068
Base-Backbone interact. energy: -0.582
local terms energy: -267.146192
where:
bonds (distance) C4'-P energy: -56.980
bonds (distance) P-C4' energy: -55.965
flat angles C4'-P-C4' energy: -52.211
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -65.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -677.874099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.874099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.874099 (E_RNA)
where:
Base-Base interactions energy: -452.585
where: short stacking energy: -213.482
Base-Backbone interact. energy: -0.729
local terms energy: -224.560627
where:
bonds (distance) C4'-P energy: -60.745
bonds (distance) P-C4' energy: -43.056
flat angles C4'-P-C4' energy: -39.348
flat angles P-C4'-P energy: -41.146
tors. eta vs tors. theta energy: -40.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -541.063503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.063503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.063503 (E_RNA)
where:
Base-Base interactions energy: -341.829
where: short stacking energy: -155.284
Base-Backbone interact. energy: -0.144
local terms energy: -199.090582
where:
bonds (distance) C4'-P energy: -40.122
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -42.362
flat angles P-C4'-P energy: -29.939
tors. eta vs tors. theta energy: -33.712
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: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -424.517610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.517610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.517610 (E_RNA)
where:
Base-Base interactions energy: -225.915
where: short stacking energy: -120.005
Base-Backbone interact. energy: -0.634
local terms energy: -197.968681
where:
bonds (distance) C4'-P energy: -37.765
bonds (distance) P-C4' energy: -65.211
flat angles C4'-P-C4' energy: -56.941
flat angles P-C4'-P energy: -23.909
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1141.091902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.091902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.091902 (E_RNA)
where:
Base-Base interactions energy: -797.956
where: short stacking energy: -335.586
Base-Backbone interact. energy: -0.494
local terms energy: -342.641883
where:
bonds (distance) C4'-P energy: -62.972
bonds (distance) P-C4' energy: -60.899
flat angles C4'-P-C4' energy: -72.975
flat angles P-C4'-P energy: -41.905
tors. eta vs tors. theta energy: -103.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1142.934398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.934398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.934398 (E_RNA)
where:
Base-Base interactions energy: -808.145
where: short stacking energy: -332.182
Base-Backbone interact. energy: -1.349
local terms energy: -333.441157
where:
bonds (distance) C4'-P energy: -60.233
bonds (distance) P-C4' energy: -58.053
flat angles C4'-P-C4' energy: -73.136
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: -90.633
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: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1076.747003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.747003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.747003 (E_RNA)
where:
Base-Base interactions energy: -759.305
where: short stacking energy: -327.219
Base-Backbone interact. energy: -0.928
local terms energy: -316.514312
where:
bonds (distance) C4'-P energy: -64.501
bonds (distance) P-C4' energy: -53.132
flat angles C4'-P-C4' energy: -65.427
flat angles P-C4'-P energy: -44.939
tors. eta vs tors. theta energy: -88.516
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: 5
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -975.717951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.717951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.717951 (E_RNA)
where:
Base-Base interactions energy: -677.139
where: short stacking energy: -305.309
Base-Backbone interact. energy: -0.976
local terms energy: -297.602866
where:
bonds (distance) C4'-P energy: -53.665
bonds (distance) P-C4' energy: -56.973
flat angles C4'-P-C4' energy: -55.157
flat angles P-C4'-P energy: -43.074
tors. eta vs tors. theta energy: -88.734
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: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -980.405525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.405525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.405525 (E_RNA)
where:
Base-Base interactions energy: -685.595
where: short stacking energy: -292.958
Base-Backbone interact. energy: 0.083
local terms energy: -294.893468
where:
bonds (distance) C4'-P energy: -63.008
bonds (distance) P-C4' energy: -57.730
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -35.676
tors. eta vs tors. theta energy: -81.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -864.578799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.578799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.578799 (E_RNA)
where:
Base-Base interactions energy: -592.407
where: short stacking energy: -271.074
Base-Backbone interact. energy: 2.043
local terms energy: -274.215040
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -52.963
flat angles C4'-P-C4' energy: -57.401
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -76.155
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: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -808.254995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.254995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.254995 (E_RNA)
where:
Base-Base interactions energy: -551.186
where: short stacking energy: -244.646
Base-Backbone interact. energy: -0.875
local terms energy: -256.193529
where:
bonds (distance) C4'-P energy: -58.633
bonds (distance) P-C4' energy: -47.606
flat angles C4'-P-C4' energy: -59.740
flat angles P-C4'-P energy: -32.357
tors. eta vs tors. theta energy: -57.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -676.141754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.141754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.141754 (E_RNA)
where:
Base-Base interactions energy: -440.025
where: short stacking energy: -210.821
Base-Backbone interact. energy: 0.918
local terms energy: -237.035230
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -59.264
flat angles P-C4'-P energy: -36.219
tors. eta vs tors. theta energy: -45.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -527.126032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.126032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.126032 (E_RNA)
where:
Base-Base interactions energy: -327.432
where: short stacking energy: -163.826
Base-Backbone interact. energy: 2.110
local terms energy: -201.803913
where:
bonds (distance) C4'-P energy: -42.626
bonds (distance) P-C4' energy: -57.068
flat angles C4'-P-C4' energy: -50.103
flat angles P-C4'-P energy: -25.924
tors. eta vs tors. theta energy: -26.083
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: 7
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -407.482132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.482132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.482132 (E_RNA)
where:
Base-Base interactions energy: -222.685
where: short stacking energy: -133.737
Base-Backbone interact. energy: -1.218
local terms energy: -183.579394
where:
bonds (distance) C4'-P energy: -44.740
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -47.182
flat angles P-C4'-P energy: -26.796
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1122.312736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.312736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.312736 (E_RNA)
where:
Base-Base interactions energy: -785.444
where: short stacking energy: -323.150
Base-Backbone interact. energy: -0.273
local terms energy: -336.595839
where:
bonds (distance) C4'-P energy: -59.500
bonds (distance) P-C4' energy: -66.238
flat angles C4'-P-C4' energy: -69.667
flat angles P-C4'-P energy: -43.039
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: 2, replica: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1150.859460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.859460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.859460 (E_RNA)
where:
Base-Base interactions energy: -817.076
where: short stacking energy: -346.238
Base-Backbone interact. energy: -1.878
local terms energy: -331.905425
where:
bonds (distance) C4'-P energy: -58.280
bonds (distance) P-C4' energy: -59.084
flat angles C4'-P-C4' energy: -71.160
flat angles P-C4'-P energy: -46.086
tors. eta vs tors. theta energy: -97.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1071.758175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.758175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.758175 (E_RNA)
where:
Base-Base interactions energy: -764.837
where: short stacking energy: -328.722
Base-Backbone interact. energy: 0.899
local terms energy: -307.819919
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -59.619
flat angles C4'-P-C4' energy: -67.042
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -84.841
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1027.752252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.752252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.752252 (E_RNA)
where:
Base-Base interactions energy: -713.438
where: short stacking energy: -307.864
Base-Backbone interact. energy: 1.043
local terms energy: -315.357334
where:
bonds (distance) C4'-P energy: -64.511
bonds (distance) P-C4' energy: -59.364
flat angles C4'-P-C4' energy: -63.569
flat angles P-C4'-P energy: -40.079
tors. eta vs tors. theta energy: -87.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -990.541238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.541238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.541238 (E_RNA)
where:
Base-Base interactions energy: -682.038
where: short stacking energy: -301.267
Base-Backbone interact. energy: -0.263
local terms energy: -308.239511
where:
bonds (distance) C4'-P energy: -57.939
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -67.984
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -94.726
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: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -867.390737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.390737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.390737 (E_RNA)
where:
Base-Base interactions energy: -604.690
where: short stacking energy: -270.768
Base-Backbone interact. energy: -1.213
local terms energy: -261.487269
where:
bonds (distance) C4'-P energy: -50.924
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -50.986
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -65.636
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: 475
Temperature: 1.200000
Total energy: -745.639187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.639187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.639187 (E_RNA)
where:
Base-Base interactions energy: -524.679
where: short stacking energy: -216.484
Base-Backbone interact. energy: -0.752
local terms energy: -220.207276
where:
bonds (distance) C4'-P energy: -50.447
bonds (distance) P-C4' energy: -50.724
flat angles C4'-P-C4' energy: -51.510
flat angles P-C4'-P energy: -30.356
tors. eta vs tors. theta energy: -37.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -688.430726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.430726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.430726 (E_RNA)
where:
Base-Base interactions energy: -464.183
where: short stacking energy: -219.689
Base-Backbone interact. energy: -1.530
local terms energy: -222.717106
where:
bonds (distance) C4'-P energy: -46.730
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -44.049
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -45.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -605.728166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.728166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.728166 (E_RNA)
where:
Base-Base interactions energy: -390.169
where: short stacking energy: -182.627
Base-Backbone interact. energy: -1.502
local terms energy: -214.056654
where:
bonds (distance) C4'-P energy: -43.936
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -50.937
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -32.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -448.377203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.377203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.377203 (E_RNA)
where:
Base-Base interactions energy: -250.532
where: short stacking energy: -129.077
Base-Backbone interact. energy: 1.373
local terms energy: -199.218600
where:
bonds (distance) C4'-P energy: -52.223
bonds (distance) P-C4' energy: -56.815
flat angles C4'-P-C4' energy: -44.792
flat angles P-C4'-P energy: -32.491
tors. eta vs tors. theta energy: -12.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1176.180271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.180271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.180271 (E_RNA)
where:
Base-Base interactions energy: -840.933
where: short stacking energy: -347.584
Base-Backbone interact. energy: -0.896
local terms energy: -334.351593
where:
bonds (distance) C4'-P energy: -60.863
bonds (distance) P-C4' energy: -59.123
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -43.771
tors. eta vs tors. theta energy: -95.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1109.452330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.452330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.452330 (E_RNA)
where:
Base-Base interactions energy: -767.718
where: short stacking energy: -322.348
Base-Backbone interact. energy: -2.261
local terms energy: -339.472790
where:
bonds (distance) C4'-P energy: -63.691
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -51.178
tors. eta vs tors. theta energy: -94.377
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: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1069.773289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.773289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.773289 (E_RNA)
where:
Base-Base interactions energy: -743.738
where: short stacking energy: -321.282
Base-Backbone interact. energy: -1.186
local terms energy: -324.850027
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -59.445
flat angles C4'-P-C4' energy: -57.052
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -89.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1006.807144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.807144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.807144 (E_RNA)
where:
Base-Base interactions energy: -709.102
where: short stacking energy: -308.883
Base-Backbone interact. energy: 1.446
local terms energy: -299.151243
where:
bonds (distance) C4'-P energy: -56.463
bonds (distance) P-C4' energy: -59.555
flat angles C4'-P-C4' energy: -61.708
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -80.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -987.755595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.755595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.755595 (E_RNA)
where:
Base-Base interactions energy: -678.861
where: short stacking energy: -291.578
Base-Backbone interact. energy: 1.290
local terms energy: -310.185013
where:
bonds (distance) C4'-P energy: -59.018
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -67.416
flat angles P-C4'-P energy: -42.777
tors. eta vs tors. theta energy: -90.018
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: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -854.617433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.617433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.617433 (E_RNA)
where:
Base-Base interactions energy: -590.286
where: short stacking energy: -263.039
Base-Backbone interact. energy: -0.292
local terms energy: -264.039186
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -62.819
flat angles C4'-P-C4' energy: -61.288
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -56.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -784.646576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.646576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.646576 (E_RNA)
where:
Base-Base interactions energy: -528.950
where: short stacking energy: -222.952
Base-Backbone interact. energy: 1.065
local terms energy: -256.761982
where:
bonds (distance) C4'-P energy: -50.393
bonds (distance) P-C4' energy: -61.356
flat angles C4'-P-C4' energy: -64.361
flat angles P-C4'-P energy: -30.794
tors. eta vs tors. theta energy: -49.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -658.016007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.016007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.016007 (E_RNA)
where:
Base-Base interactions energy: -423.970
where: short stacking energy: -206.828
Base-Backbone interact. energy: 3.780
local terms energy: -237.825549
where:
bonds (distance) C4'-P energy: -52.125
bonds (distance) P-C4' energy: -51.496
flat angles C4'-P-C4' energy: -51.956
flat angles P-C4'-P energy: -35.270
tors. eta vs tors. theta energy: -46.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -576.882166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.882166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.882166 (E_RNA)
where:
Base-Base interactions energy: -361.654
where: short stacking energy: -176.939
Base-Backbone interact. energy: 4.887
local terms energy: -220.114658
where:
bonds (distance) C4'-P energy: -51.793
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -38.583
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -37.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -432.314085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.314085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.314085 (E_RNA)
where:
Base-Base interactions energy: -238.523
where: short stacking energy: -124.836
Base-Backbone interact. energy: 1.373
local terms energy: -195.164700
where:
bonds (distance) C4'-P energy: -56.121
bonds (distance) P-C4' energy: -48.111
flat angles C4'-P-C4' energy: -51.342
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1161.038877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.038877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.038877 (E_RNA)
where:
Base-Base interactions energy: -822.224
where: short stacking energy: -353.171
Base-Backbone interact. energy: -0.442
local terms energy: -338.373611
where:
bonds (distance) C4'-P energy: -59.790
bonds (distance) P-C4' energy: -66.621
flat angles C4'-P-C4' energy: -78.984
flat angles P-C4'-P energy: -39.710
tors. eta vs tors. theta energy: -93.269
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: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1116.846050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.846050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.846050 (E_RNA)
where:
Base-Base interactions energy: -788.995
where: short stacking energy: -322.011
Base-Backbone interact. energy: 0.655
local terms energy: -328.505953
where:
bonds (distance) C4'-P energy: -52.880
bonds (distance) P-C4' energy: -67.215
flat angles C4'-P-C4' energy: -65.947
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -98.981
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1040.762048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.762048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.762048 (E_RNA)
where:
Base-Base interactions energy: -721.574
where: short stacking energy: -315.009
Base-Backbone interact. energy: -0.942
local terms energy: -318.246295
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -61.799
flat angles C4'-P-C4' energy: -73.843
flat angles P-C4'-P energy: -42.349
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: 4, replica: 5
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -993.716401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.716401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.716401 (E_RNA)
where:
Base-Base interactions energy: -687.560
where: short stacking energy: -305.265
Base-Backbone interact. energy: -2.532
local terms energy: -303.624990
where:
bonds (distance) C4'-P energy: -57.589
bonds (distance) P-C4' energy: -60.344
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -96.143
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: 5, replica: 1
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -987.910106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.910106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.910106 (E_RNA)
where:
Base-Base interactions energy: -684.300
where: short stacking energy: -281.336
Base-Backbone interact. energy: -0.341
local terms energy: -303.269668
where:
bonds (distance) C4'-P energy: -49.867
bonds (distance) P-C4' energy: -61.956
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -47.701
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: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -885.070857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.070857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.070857 (E_RNA)
where:
Base-Base interactions energy: -619.530
where: short stacking energy: -274.639
Base-Backbone interact. energy: 6.191
local terms energy: -271.730900
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -47.412
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -46.004
tors. eta vs tors. theta energy: -73.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -806.581973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.581973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.581973 (E_RNA)
where:
Base-Base interactions energy: -559.415
where: short stacking energy: -250.928
Base-Backbone interact. energy: 0.040
local terms energy: -247.206973
where:
bonds (distance) C4'-P energy: -38.966
bonds (distance) P-C4' energy: -45.051
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -36.805
tors. eta vs tors. theta energy: -60.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -649.135672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.135672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.135672 (E_RNA)
where:
Base-Base interactions energy: -419.971
where: short stacking energy: -198.545
Base-Backbone interact. energy: -0.870
local terms energy: -228.294657
where:
bonds (distance) C4'-P energy: -50.664
bonds (distance) P-C4' energy: -50.736
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -38.628
tors. eta vs tors. theta energy: -27.984
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: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -551.069586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.069586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.069586 (E_RNA)
where:
Base-Base interactions energy: -355.243
where: short stacking energy: -156.620
Base-Backbone interact. energy: -2.552
local terms energy: -193.274577
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -55.492
flat angles C4'-P-C4' energy: -50.064
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -24.465
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: 7
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -428.287527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.287527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.287527 (E_RNA)
where:
Base-Base interactions energy: -241.963
where: short stacking energy: -122.014
Base-Backbone interact. energy: -1.548
local terms energy: -184.775757
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -57.098
flat angles C4'-P-C4' energy: -42.758
flat angles P-C4'-P energy: -26.969
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1162.347380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.347380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.347380 (E_RNA)
where:
Base-Base interactions energy: -839.533
where: short stacking energy: -331.200
Base-Backbone interact. energy: -0.483
local terms energy: -322.331175
where:
bonds (distance) C4'-P energy: -58.851
bonds (distance) P-C4' energy: -55.648
flat angles C4'-P-C4' energy: -72.321
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -91.217
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: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1116.256316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.256316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.256316 (E_RNA)
where:
Base-Base interactions energy: -775.213
where: short stacking energy: -322.619
Base-Backbone interact. energy: -1.758
local terms energy: -339.284882
where:
bonds (distance) C4'-P energy: -61.922
bonds (distance) P-C4' energy: -61.064
flat angles C4'-P-C4' energy: -70.116
flat angles P-C4'-P energy: -47.050
tors. eta vs tors. theta energy: -99.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1051.064096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.064096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.064096 (E_RNA)
where:
Base-Base interactions energy: -734.663
where: short stacking energy: -320.755
Base-Backbone interact. energy: 0.490
local terms energy: -316.890354
where:
bonds (distance) C4'-P energy: -62.832
bonds (distance) P-C4' energy: -55.847
flat angles C4'-P-C4' energy: -59.925
flat angles P-C4'-P energy: -46.466
tors. eta vs tors. theta energy: -91.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1011.412118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.412118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.412118 (E_RNA)
where:
Base-Base interactions energy: -698.879
where: short stacking energy: -318.828
Base-Backbone interact. energy: -0.615
local terms energy: -311.918100
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -56.217
flat angles C4'-P-C4' energy: -68.212
flat angles P-C4'-P energy: -45.427
tors. eta vs tors. theta energy: -90.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -994.337988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.337988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.337988 (E_RNA)
where:
Base-Base interactions energy: -715.745
where: short stacking energy: -308.698
Base-Backbone interact. energy: -1.279
local terms energy: -277.314145
where:
bonds (distance) C4'-P energy: -38.039
bonds (distance) P-C4' energy: -52.152
flat angles C4'-P-C4' energy: -57.935
flat angles P-C4'-P energy: -38.948
tors. eta vs tors. theta energy: -90.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -850.966854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.966854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.966854 (E_RNA)
where:
Base-Base interactions energy: -581.092
where: short stacking energy: -265.337
Base-Backbone interact. energy: -0.371
local terms energy: -269.504103
where:
bonds (distance) C4'-P energy: -62.250
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -55.050
flat angles P-C4'-P energy: -22.582
tors. eta vs tors. theta energy: -70.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -783.717658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.717658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.717658 (E_RNA)
where:
Base-Base interactions energy: -533.808
where: short stacking energy: -230.578
Base-Backbone interact. energy: -0.687
local terms energy: -249.222244
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -652.011430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.011430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.011430 (E_RNA)
where:
Base-Base interactions energy: -433.252
where: short stacking energy: -195.781
Base-Backbone interact. energy: 0.141
local terms energy: -218.900235
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -43.149
flat angles C4'-P-C4' energy: -49.448
flat angles P-C4'-P energy: -36.240
tors. eta vs tors. theta energy: -39.794
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: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -585.321389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.321389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.321389 (E_RNA)
where:
Base-Base interactions energy: -367.284
where: short stacking energy: -175.114
Base-Backbone interact. energy: 1.776
local terms energy: -219.813535
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -55.248
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -30.116
tors. eta vs tors. theta energy: -23.148
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: 7
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -395.720591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.720591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.720591 (E_RNA)
where:
Base-Base interactions energy: -205.874
where: short stacking energy: -116.849
Base-Backbone interact. energy: -0.330
local terms energy: -189.516623
where:
bonds (distance) C4'-P energy: -50.631
bonds (distance) P-C4' energy: -63.096
flat angles C4'-P-C4' energy: -44.928
flat angles P-C4'-P energy: -22.703
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1179.072740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.072740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.072740 (E_RNA)
where:
Base-Base interactions energy: -842.884
where: short stacking energy: -347.922
Base-Backbone interact. energy: -1.323
local terms energy: -334.866640
where:
bonds (distance) C4'-P energy: -55.133
bonds (distance) P-C4' energy: -67.131
flat angles C4'-P-C4' energy: -71.175
flat angles P-C4'-P energy: -45.600
tors. eta vs tors. theta energy: -95.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1079.241847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.241847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.241847 (E_RNA)
where:
Base-Base interactions energy: -753.475
where: short stacking energy: -314.182
Base-Backbone interact. energy: -1.981
local terms energy: -323.786207
where:
bonds (distance) C4'-P energy: -64.499
bonds (distance) P-C4' energy: -68.361
flat angles C4'-P-C4' energy: -65.322
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: -83.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1060.372101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.372101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.372101 (E_RNA)
where:
Base-Base interactions energy: -743.267
where: short stacking energy: -318.292
Base-Backbone interact. energy: -0.905
local terms energy: -316.200205
where:
bonds (distance) C4'-P energy: -60.982
bonds (distance) P-C4' energy: -55.452
flat angles C4'-P-C4' energy: -60.124
flat angles P-C4'-P energy: -40.418
tors. eta vs tors. theta energy: -99.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1004.470250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.470250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.470250 (E_RNA)
where:
Base-Base interactions energy: -711.141
where: short stacking energy: -297.156
Base-Backbone interact. energy: -0.295
local terms energy: -293.034443
where:
bonds (distance) C4'-P energy: -55.447
bonds (distance) P-C4' energy: -46.744
flat angles C4'-P-C4' energy: -65.741
flat angles P-C4'-P energy: -43.962
tors. eta vs tors. theta energy: -81.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1012.705981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.705981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.705981 (E_RNA)
where:
Base-Base interactions energy: -698.520
where: short stacking energy: -298.386
Base-Backbone interact. energy: 0.927
local terms energy: -315.113258
where:
bonds (distance) C4'-P energy: -53.217
bonds (distance) P-C4' energy: -58.367
flat angles C4'-P-C4' energy: -66.915
flat angles P-C4'-P energy: -46.552
tors. eta vs tors. theta energy: -90.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -862.888444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.888444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.888444 (E_RNA)
where:
Base-Base interactions energy: -590.834
where: short stacking energy: -264.399
Base-Backbone interact. energy: -4.148
local terms energy: -267.906646
where:
bonds (distance) C4'-P energy: -49.098
bonds (distance) P-C4' energy: -37.776
flat angles C4'-P-C4' energy: -69.404
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -70.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -839.089938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.089938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.089938 (E_RNA)
where:
Base-Base interactions energy: -569.944
where: short stacking energy: -242.670
Base-Backbone interact. energy: -0.407
local terms energy: -268.739312
where:
bonds (distance) C4'-P energy: -64.417
bonds (distance) P-C4' energy: -48.699
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -68.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -632.373086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.373086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.373086 (E_RNA)
where:
Base-Base interactions energy: -397.116
where: short stacking energy: -193.335
Base-Backbone interact. energy: -1.639
local terms energy: -233.618447
where:
bonds (distance) C4'-P energy: -63.692
bonds (distance) P-C4' energy: -57.075
flat angles C4'-P-C4' energy: -50.096
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: -33.513
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: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -532.863058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.863058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.863058 (E_RNA)
where:
Base-Base interactions energy: -310.385
where: short stacking energy: -151.561
Base-Backbone interact. energy: 3.259
local terms energy: -225.737763
where:
bonds (distance) C4'-P energy: -47.934
bonds (distance) P-C4' energy: -63.249
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -34.316
tors. eta vs tors. theta energy: -32.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -389.469439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.469439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.469439 (E_RNA)
where:
Base-Base interactions energy: -208.522
where: short stacking energy: -105.451
Base-Backbone interact. energy: -0.352
local terms energy: -180.595625
where:
bonds (distance) C4'-P energy: -53.203
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -42.377
flat angles P-C4'-P energy: -31.210
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1181.788732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.788732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.788732 (E_RNA)
where:
Base-Base interactions energy: -851.022
where: short stacking energy: -349.484
Base-Backbone interact. energy: -0.686
local terms energy: -330.081145
where:
bonds (distance) C4'-P energy: -60.986
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -73.843
flat angles P-C4'-P energy: -46.180
tors. eta vs tors. theta energy: -98.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1093.493244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.493244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.493244 (E_RNA)
where:
Base-Base interactions energy: -789.841
where: short stacking energy: -325.288
Base-Backbone interact. energy: -0.271
local terms energy: -303.381457
where:
bonds (distance) C4'-P energy: -61.441
bonds (distance) P-C4' energy: -50.215
flat angles C4'-P-C4' energy: -64.135
flat angles P-C4'-P energy: -35.560
tors. eta vs tors. theta energy: -92.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1047.055254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.055254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.055254 (E_RNA)
where:
Base-Base interactions energy: -735.689
where: short stacking energy: -314.302
Base-Backbone interact. energy: -0.356
local terms energy: -311.010418
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -52.918
flat angles C4'-P-C4' energy: -65.054
flat angles P-C4'-P energy: -49.994
tors. eta vs tors. theta energy: -85.492
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: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -1032.709768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.709768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.709768 (E_RNA)
where:
Base-Base interactions energy: -706.637
where: short stacking energy: -321.907
Base-Backbone interact. energy: -0.913
local terms energy: -325.159743
where:
bonds (distance) C4'-P energy: -63.630
bonds (distance) P-C4' energy: -63.728
flat angles C4'-P-C4' energy: -62.199
flat angles P-C4'-P energy: -41.572
tors. eta vs tors. theta energy: -94.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1000.990180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.990180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.990180 (E_RNA)
where:
Base-Base interactions energy: -689.608
where: short stacking energy: -301.802
Base-Backbone interact. energy: -1.064
local terms energy: -310.318674
where:
bonds (distance) C4'-P energy: -62.638
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -61.584
flat angles P-C4'-P energy: -50.814
tors. eta vs tors. theta energy: -83.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -869.180360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.180360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.180360 (E_RNA)
where:
Base-Base interactions energy: -599.104
where: short stacking energy: -265.855
Base-Backbone interact. energy: 3.136
local terms energy: -273.211531
where:
bonds (distance) C4'-P energy: -57.247
bonds (distance) P-C4' energy: -48.860
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -39.214
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: 7, replica: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -802.890598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.890598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.890598 (E_RNA)
where:
Base-Base interactions energy: -562.366
where: short stacking energy: -243.469
Base-Backbone interact. energy: -0.649
local terms energy: -239.875142
where:
bonds (distance) C4'-P energy: -53.035
bonds (distance) P-C4' energy: -43.329
flat angles C4'-P-C4' energy: -61.204
flat angles P-C4'-P energy: -36.021
tors. eta vs tors. theta energy: -46.287
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: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -655.868989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.868989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.868989 (E_RNA)
where:
Base-Base interactions energy: -409.607
where: short stacking energy: -193.695
Base-Backbone interact. energy: -1.106
local terms energy: -245.156082
where:
bonds (distance) C4'-P energy: -54.367
bonds (distance) P-C4' energy: -60.771
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -31.680
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -559.069236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.069236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.069236 (E_RNA)
where:
Base-Base interactions energy: -357.228
where: short stacking energy: -167.314
Base-Backbone interact. energy: 1.044
local terms energy: -202.885420
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -45.763
flat angles C4'-P-C4' energy: -53.288
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -31.312
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: 480
Temperature: 1.350000
Total energy: -436.097746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.097746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.097746 (E_RNA)
where:
Base-Base interactions energy: -253.833
where: short stacking energy: -130.294
Base-Backbone interact. energy: -2.684
local terms energy: -179.580700
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -47.168
flat angles C4'-P-C4' energy: -51.744
flat angles P-C4'-P energy: -28.241
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1181.255946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.255946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.255946 (E_RNA)
where:
Base-Base interactions energy: -840.625
where: short stacking energy: -331.449
Base-Backbone interact. energy: 0.049
local terms energy: -340.679820
where:
bonds (distance) C4'-P energy: -71.785
bonds (distance) P-C4' energy: -60.060
flat angles C4'-P-C4' energy: -71.150
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -95.971
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: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1073.853769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.853769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.853769 (E_RNA)
where:
Base-Base interactions energy: -745.625
where: short stacking energy: -320.721
Base-Backbone interact. energy: -0.314
local terms energy: -327.915112
where:
bonds (distance) C4'-P energy: -62.680
bonds (distance) P-C4' energy: -64.985
flat angles C4'-P-C4' energy: -67.740
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -87.997
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1074.785992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.785992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.785992 (E_RNA)
where:
Base-Base interactions energy: -774.939
where: short stacking energy: -305.593
Base-Backbone interact. energy: -1.543
local terms energy: -298.304180
where:
bonds (distance) C4'-P energy: -46.415
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -65.878
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -86.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -999.116522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.116522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.116522 (E_RNA)
where:
Base-Base interactions energy: -682.817
where: short stacking energy: -308.209
Base-Backbone interact. energy: -0.621
local terms energy: -315.677891
where:
bonds (distance) C4'-P energy: -54.625
bonds (distance) P-C4' energy: -62.443
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -93.926
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: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1019.000845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.000845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.000845 (E_RNA)
where:
Base-Base interactions energy: -704.888
where: short stacking energy: -299.397
Base-Backbone interact. energy: -1.008
local terms energy: -313.104428
where:
bonds (distance) C4'-P energy: -64.446
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -87.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -867.166769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.166769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.166769 (E_RNA)
where:
Base-Base interactions energy: -590.130
where: short stacking energy: -260.297
Base-Backbone interact. energy: -0.960
local terms energy: -276.077259
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -34.803
tors. eta vs tors. theta energy: -64.580
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: 481
Temperature: 1.200000
Total energy: -776.892836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.892836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.892836 (E_RNA)
where:
Base-Base interactions energy: -518.428
where: short stacking energy: -232.334
Base-Backbone interact. energy: -1.127
local terms energy: -257.337417
where:
bonds (distance) C4'-P energy: -49.865
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -33.442
tors. eta vs tors. theta energy: -60.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -625.068610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.068610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.068610 (E_RNA)
where:
Base-Base interactions energy: -390.378
where: short stacking energy: -177.691
Base-Backbone interact. energy: -1.065
local terms energy: -233.625295
where:
bonds (distance) C4'-P energy: -45.802
bonds (distance) P-C4' energy: -57.408
flat angles C4'-P-C4' energy: -64.798
flat angles P-C4'-P energy: -30.326
tors. eta vs tors. theta energy: -35.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -634.394800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.394800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.394800 (E_RNA)
where:
Base-Base interactions energy: -405.898
where: short stacking energy: -179.867
Base-Backbone interact. energy: -0.390
local terms energy: -228.107061
where:
bonds (distance) C4'-P energy: -57.806
bonds (distance) P-C4' energy: -48.210
flat angles C4'-P-C4' energy: -55.800
flat angles P-C4'-P energy: -28.156
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: 481
Temperature: 1.350000
Total energy: -434.506574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.506574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.506574 (E_RNA)
where:
Base-Base interactions energy: -246.251
where: short stacking energy: -128.297
Base-Backbone interact. energy: -1.691
local terms energy: -186.564976
where:
bonds (distance) C4'-P energy: -50.551
bonds (distance) P-C4' energy: -51.499
flat angles C4'-P-C4' energy: -42.663
flat angles P-C4'-P energy: -25.348
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: 1, replica: 3
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1178.662243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.662243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.662243 (E_RNA)
where:
Base-Base interactions energy: -864.983
where: short stacking energy: -354.218
Base-Backbone interact. energy: -1.245
local terms energy: -312.433736
where:
bonds (distance) C4'-P energy: -67.024
bonds (distance) P-C4' energy: -54.957
flat angles C4'-P-C4' energy: -60.578
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: -94.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1100.915386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.915386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.915386 (E_RNA)
where:
Base-Base interactions energy: -766.051
where: short stacking energy: -327.314
Base-Backbone interact. energy: 3.584
local terms energy: -338.449043
where:
bonds (distance) C4'-P energy: -60.665
bonds (distance) P-C4' energy: -65.484
flat angles C4'-P-C4' energy: -73.770
flat angles P-C4'-P energy: -41.361
tors. eta vs tors. theta energy: -97.169
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: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1084.420754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.420754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.420754 (E_RNA)
where:
Base-Base interactions energy: -759.567
where: short stacking energy: -306.148
Base-Backbone interact. energy: -0.808
local terms energy: -324.045801
where:
bonds (distance) C4'-P energy: -52.752
bonds (distance) P-C4' energy: -68.400
flat angles C4'-P-C4' energy: -61.468
flat angles P-C4'-P energy: -52.641
tors. eta vs tors. theta energy: -88.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1016.270271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.270271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.270271 (E_RNA)
where:
Base-Base interactions energy: -703.623
where: short stacking energy: -306.992
Base-Backbone interact. energy: -1.362
local terms energy: -311.285337
where:
bonds (distance) C4'-P energy: -48.942
bonds (distance) P-C4' energy: -62.427
flat angles C4'-P-C4' energy: -65.699
flat angles P-C4'-P energy: -41.786
tors. eta vs tors. theta energy: -92.430
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: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1008.516476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.516476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.516476 (E_RNA)
where:
Base-Base interactions energy: -718.002
where: short stacking energy: -307.163
Base-Backbone interact. energy: -1.320
local terms energy: -289.195346
where:
bonds (distance) C4'-P energy: -57.941
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -62.129
flat angles P-C4'-P energy: -35.198
tors. eta vs tors. theta energy: -88.542
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: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -868.183352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.183352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.183352 (E_RNA)
where:
Base-Base interactions energy: -593.171
where: short stacking energy: -262.725
Base-Backbone interact. energy: -1.043
local terms energy: -273.968844
where:
bonds (distance) C4'-P energy: -50.315
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -48.934
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: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -775.990117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.990117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.990117 (E_RNA)
where:
Base-Base interactions energy: -527.609
where: short stacking energy: -225.120
Base-Backbone interact. energy: -0.781
local terms energy: -247.600936
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -49.884
flat angles C4'-P-C4' energy: -63.020
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -46.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -642.419266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.419266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.419266 (E_RNA)
where:
Base-Base interactions energy: -417.306
where: short stacking energy: -184.719
Base-Backbone interact. energy: 1.463
local terms energy: -226.575944
where:
bonds (distance) C4'-P energy: -48.363
bonds (distance) P-C4' energy: -51.784
flat angles C4'-P-C4' energy: -55.142
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -39.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -634.176016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.176016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.176016 (E_RNA)
where:
Base-Base interactions energy: -411.282
where: short stacking energy: -185.937
Base-Backbone interact. energy: -0.313
local terms energy: -222.580871
where:
bonds (distance) C4'-P energy: -48.929
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -48.785
flat angles P-C4'-P energy: -32.273
tors. eta vs tors. theta energy: -35.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -417.090508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.090508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.090508 (E_RNA)
where:
Base-Base interactions energy: -247.751
where: short stacking energy: -132.708
Base-Backbone interact. energy: 0.004
local terms energy: -169.343626
where:
bonds (distance) C4'-P energy: -54.405
bonds (distance) P-C4' energy: -41.332
flat angles C4'-P-C4' energy: -41.847
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1167.141293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.141293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.141293 (E_RNA)
where:
Base-Base interactions energy: -839.811
where: short stacking energy: -330.913
Base-Backbone interact. energy: -2.371
local terms energy: -324.958815
where:
bonds (distance) C4'-P energy: -63.487
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -70.985
flat angles P-C4'-P energy: -44.658
tors. eta vs tors. theta energy: -83.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1082.828155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.828155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.828155 (E_RNA)
where:
Base-Base interactions energy: -771.610
where: short stacking energy: -319.388
Base-Backbone interact. energy: -2.589
local terms energy: -308.629242
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -61.767
flat angles C4'-P-C4' energy: -65.269
flat angles P-C4'-P energy: -45.971
tors. eta vs tors. theta energy: -85.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1086.607814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.607814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.607814 (E_RNA)
where:
Base-Base interactions energy: -765.550
where: short stacking energy: -318.817
Base-Backbone interact. energy: -0.552
local terms energy: -320.506285
where:
bonds (distance) C4'-P energy: -56.764
bonds (distance) P-C4' energy: -57.120
flat angles C4'-P-C4' energy: -66.070
flat angles P-C4'-P energy: -44.358
tors. eta vs tors. theta energy: -96.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1007.641340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.641340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.641340 (E_RNA)
where:
Base-Base interactions energy: -704.267
where: short stacking energy: -301.932
Base-Backbone interact. energy: -0.144
local terms energy: -303.230431
where:
bonds (distance) C4'-P energy: -52.830
bonds (distance) P-C4' energy: -47.178
flat angles C4'-P-C4' energy: -65.930
flat angles P-C4'-P energy: -43.381
tors. eta vs tors. theta energy: -93.911
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: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -989.909592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.909592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.909592 (E_RNA)
where:
Base-Base interactions energy: -695.017
where: short stacking energy: -305.062
Base-Backbone interact. energy: -0.917
local terms energy: -293.975336
where:
bonds (distance) C4'-P energy: -58.820
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -63.957
flat angles P-C4'-P energy: -37.373
tors. eta vs tors. theta energy: -78.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -898.165755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.165755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.165755 (E_RNA)
where:
Base-Base interactions energy: -596.191
where: short stacking energy: -266.762
Base-Backbone interact. energy: 1.418
local terms energy: -303.392736
where:
bonds (distance) C4'-P energy: -64.832
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -60.743
flat angles P-C4'-P energy: -45.773
tors. eta vs tors. theta energy: -70.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -811.916958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.916958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.916958 (E_RNA)
where:
Base-Base interactions energy: -545.670
where: short stacking energy: -248.312
Base-Backbone interact. energy: -1.273
local terms energy: -264.973828
where:
bonds (distance) C4'-P energy: -58.952
bonds (distance) P-C4' energy: -48.772
flat angles C4'-P-C4' energy: -63.652
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -60.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -645.455882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.455882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.455882 (E_RNA)
where:
Base-Base interactions energy: -419.365
where: short stacking energy: -205.498
Base-Backbone interact. energy: -2.791
local terms energy: -223.299324
where:
bonds (distance) C4'-P energy: -33.045
bonds (distance) P-C4' energy: -59.323
flat angles C4'-P-C4' energy: -46.889
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -47.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -604.652196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.652196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.652196 (E_RNA)
where:
Base-Base interactions energy: -389.996
where: short stacking energy: -169.014
Base-Backbone interact. energy: -1.023
local terms energy: -213.632737
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -48.577
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -45.727
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -450.642487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.642487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.642487 (E_RNA)
where:
Base-Base interactions energy: -250.018
where: short stacking energy: -122.827
Base-Backbone interact. energy: -1.780
local terms energy: -198.844284
where:
bonds (distance) C4'-P energy: -52.603
bonds (distance) P-C4' energy: -56.011
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -27.808
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1165.197611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.197611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.197611 (E_RNA)
where:
Base-Base interactions energy: -838.718
where: short stacking energy: -340.112
Base-Backbone interact. energy: 0.329
local terms energy: -326.808397
where:
bonds (distance) C4'-P energy: -58.845
bonds (distance) P-C4' energy: -60.176
flat angles C4'-P-C4' energy: -72.434
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -92.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1091.156488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.156488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.156488 (E_RNA)
where:
Base-Base interactions energy: -766.532
where: short stacking energy: -328.401
Base-Backbone interact. energy: -0.489
local terms energy: -324.134599
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -58.355
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -48.873
tors. eta vs tors. theta energy: -97.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1075.279601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.279601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.279601 (E_RNA)
where:
Base-Base interactions energy: -761.167
where: short stacking energy: -308.949
Base-Backbone interact. energy: -0.682
local terms energy: -313.429936
where:
bonds (distance) C4'-P energy: -60.053
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -68.111
flat angles P-C4'-P energy: -43.329
tors. eta vs tors. theta energy: -89.462
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: 1
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1044.078682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.078682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.078682 (E_RNA)
where:
Base-Base interactions energy: -737.315
where: short stacking energy: -328.792
Base-Backbone interact. energy: 4.527
local terms energy: -311.290514
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -64.270
flat angles C4'-P-C4' energy: -66.646
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: -94.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -964.741815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.741815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.741815 (E_RNA)
where:
Base-Base interactions energy: -662.555
where: short stacking energy: -284.909
Base-Backbone interact. energy: -1.158
local terms energy: -301.028529
where:
bonds (distance) C4'-P energy: -57.773
bonds (distance) P-C4' energy: -63.985
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -41.765
tors. eta vs tors. theta energy: -78.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -879.929929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.929929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.929929 (E_RNA)
where:
Base-Base interactions energy: -605.975
where: short stacking energy: -270.318
Base-Backbone interact. energy: -1.283
local terms energy: -272.672541
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -44.752
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -38.288
tors. eta vs tors. theta energy: -73.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -790.370666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.370666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.370666 (E_RNA)
where:
Base-Base interactions energy: -549.301
where: short stacking energy: -226.326
Base-Backbone interact. energy: -0.438
local terms energy: -240.631831
where:
bonds (distance) C4'-P energy: -52.962
bonds (distance) P-C4' energy: -50.597
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -43.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -652.428864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.428864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.428864 (E_RNA)
where:
Base-Base interactions energy: -423.930
where: short stacking energy: -207.558
Base-Backbone interact. energy: 0.394
local terms energy: -228.893293
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -42.190
flat angles P-C4'-P energy: -38.094
tors. eta vs tors. theta energy: -46.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -631.606087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.606087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.606087 (E_RNA)
where:
Base-Base interactions energy: -419.983
where: short stacking energy: -195.350
Base-Backbone interact. energy: -0.646
local terms energy: -210.977742
where:
bonds (distance) C4'-P energy: -40.635
bonds (distance) P-C4' energy: -45.978
flat angles C4'-P-C4' energy: -52.559
flat angles P-C4'-P energy: -31.040
tors. eta vs tors. theta energy: -40.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -425.220149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.220149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.220149 (E_RNA)
where:
Base-Base interactions energy: -225.806
where: short stacking energy: -113.750
Base-Backbone interact. energy: 1.129
local terms energy: -200.542657
where:
bonds (distance) C4'-P energy: -49.204
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -50.353
flat angles P-C4'-P energy: -35.836
tors. eta vs tors. theta energy: -11.774
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: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1181.098702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.098702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.098702 (E_RNA)
where:
Base-Base interactions energy: -853.819
where: short stacking energy: -335.358
Base-Backbone interact. energy: -2.757
local terms energy: -324.522648
where:
bonds (distance) C4'-P energy: -62.778
bonds (distance) P-C4' energy: -62.933
flat angles C4'-P-C4' energy: -65.977
flat angles P-C4'-P energy: -40.745
tors. eta vs tors. theta energy: -92.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1105.617989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.617989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.617989 (E_RNA)
where:
Base-Base interactions energy: -785.797
where: short stacking energy: -319.608
Base-Backbone interact. energy: -1.230
local terms energy: -318.590861
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -54.891
flat angles C4'-P-C4' energy: -70.194
flat angles P-C4'-P energy: -44.087
tors. eta vs tors. theta energy: -93.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1051.137153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.137153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.137153 (E_RNA)
where:
Base-Base interactions energy: -730.369
where: short stacking energy: -319.093
Base-Backbone interact. energy: 0.059
local terms energy: -320.827158
where:
bonds (distance) C4'-P energy: -46.545
bonds (distance) P-C4' energy: -56.498
flat angles C4'-P-C4' energy: -71.751
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -90.859
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: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1023.562892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.562892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.562892 (E_RNA)
where:
Base-Base interactions energy: -711.783
where: short stacking energy: -310.942
Base-Backbone interact. energy: -0.101
local terms energy: -311.678953
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -48.519
flat angles C4'-P-C4' energy: -67.284
flat angles P-C4'-P energy: -47.109
tors. eta vs tors. theta energy: -94.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -974.079069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.079069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.079069 (E_RNA)
where:
Base-Base interactions energy: -675.618
where: short stacking energy: -291.552
Base-Backbone interact. energy: -1.745
local terms energy: -296.715812
where:
bonds (distance) C4'-P energy: -58.181
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -61.710
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -79.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -877.585861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.585861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.585861 (E_RNA)
where:
Base-Base interactions energy: -593.932
where: short stacking energy: -271.146
Base-Backbone interact. energy: -2.236
local terms energy: -281.418037
where:
bonds (distance) C4'-P energy: -50.730
bonds (distance) P-C4' energy: -63.463
flat angles C4'-P-C4' energy: -64.877
flat angles P-C4'-P energy: -41.534
tors. eta vs tors. theta energy: -60.814
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -796.444962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.444962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.444962 (E_RNA)
where:
Base-Base interactions energy: -548.986
where: short stacking energy: -247.855
Base-Backbone interact. energy: -1.197
local terms energy: -246.261401
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -56.465
flat angles C4'-P-C4' energy: -49.349
flat angles P-C4'-P energy: -26.743
tors. eta vs tors. theta energy: -61.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -652.046988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.046988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.046988 (E_RNA)
where:
Base-Base interactions energy: -412.443
where: short stacking energy: -196.041
Base-Backbone interact. energy: 0.880
local terms energy: -240.484605
where:
bonds (distance) C4'-P energy: -54.854
bonds (distance) P-C4' energy: -55.286
flat angles C4'-P-C4' energy: -53.387
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: -44.577
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: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -603.877685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.877685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.877685 (E_RNA)
where:
Base-Base interactions energy: -376.196
where: short stacking energy: -186.726
Base-Backbone interact. energy: 0.208
local terms energy: -227.890093
where:
bonds (distance) C4'-P energy: -44.963
bonds (distance) P-C4' energy: -64.251
flat angles C4'-P-C4' energy: -51.188
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -22.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -406.149740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.149740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.149740 (E_RNA)
where:
Base-Base interactions energy: -225.356
where: short stacking energy: -126.709
Base-Backbone interact. energy: -0.690
local terms energy: -180.104213
where:
bonds (distance) C4'-P energy: -43.542
bonds (distance) P-C4' energy: -63.403
flat angles C4'-P-C4' energy: -43.114
flat angles P-C4'-P energy: -19.454
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1163.199182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.199182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.199182 (E_RNA)
where:
Base-Base interactions energy: -842.323
where: short stacking energy: -333.860
Base-Backbone interact. energy: -0.428
local terms energy: -320.447497
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -68.638
flat angles C4'-P-C4' energy: -65.061
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -93.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1121.381990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.381990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.381990 (E_RNA)
where:
Base-Base interactions energy: -803.709
where: short stacking energy: -333.222
Base-Backbone interact. energy: -1.430
local terms energy: -316.242388
where:
bonds (distance) C4'-P energy: -53.471
bonds (distance) P-C4' energy: -60.168
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -101.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1076.052965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.052965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.052965 (E_RNA)
where:
Base-Base interactions energy: -755.363
where: short stacking energy: -301.476
Base-Backbone interact. energy: -1.402
local terms energy: -319.287734
where:
bonds (distance) C4'-P energy: -61.820
bonds (distance) P-C4' energy: -56.960
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -41.796
tors. eta vs tors. theta energy: -92.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1014.675296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.675296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.675296 (E_RNA)
where:
Base-Base interactions energy: -699.641
where: short stacking energy: -302.490
Base-Backbone interact. energy: -0.693
local terms energy: -314.341768
where:
bonds (distance) C4'-P energy: -59.694
bonds (distance) P-C4' energy: -58.900
flat angles C4'-P-C4' energy: -67.378
flat angles P-C4'-P energy: -43.685
tors. eta vs tors. theta energy: -84.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -953.700844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.700844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.700844 (E_RNA)
where:
Base-Base interactions energy: -665.144
where: short stacking energy: -298.594
Base-Backbone interact. energy: -0.421
local terms energy: -288.135614
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -54.960
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -42.144
tors. eta vs tors. theta energy: -81.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -852.772631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.772631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.772631 (E_RNA)
where:
Base-Base interactions energy: -588.895
where: short stacking energy: -251.328
Base-Backbone interact. energy: 0.104
local terms energy: -263.981259
where:
bonds (distance) C4'-P energy: -51.446
bonds (distance) P-C4' energy: -58.774
flat angles C4'-P-C4' energy: -60.490
flat angles P-C4'-P energy: -37.222
tors. eta vs tors. theta energy: -56.049
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: 486
Temperature: 1.200000
Total energy: -793.186141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.186141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.186141 (E_RNA)
where:
Base-Base interactions energy: -533.550
where: short stacking energy: -224.353
Base-Backbone interact. energy: 0.200
local terms energy: -259.836110
where:
bonds (distance) C4'-P energy: -46.814
bonds (distance) P-C4' energy: -57.339
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -37.683
tors. eta vs tors. theta energy: -59.757
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -632.730438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.730438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.730438 (E_RNA)
where:
Base-Base interactions energy: -431.562
where: short stacking energy: -176.471
Base-Backbone interact. energy: 0.455
local terms energy: -201.623057
where:
bonds (distance) C4'-P energy: -41.616
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -43.986
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -590.565582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.565582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.565582 (E_RNA)
where:
Base-Base interactions energy: -359.859
where: short stacking energy: -168.556
Base-Backbone interact. energy: -0.287
local terms energy: -230.419164
where:
bonds (distance) C4'-P energy: -52.211
bonds (distance) P-C4' energy: -56.397
flat angles C4'-P-C4' energy: -49.091
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -38.160
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: 486
Temperature: 1.350000
Total energy: -401.622317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.622317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.622317 (E_RNA)
where:
Base-Base interactions energy: -201.353
where: short stacking energy: -112.836
Base-Backbone interact. energy: 0.271
local terms energy: -200.540485
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -54.754
flat angles C4'-P-C4' energy: -49.161
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1177.564598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.564598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.564598 (E_RNA)
where:
Base-Base interactions energy: -838.310
where: short stacking energy: -337.225
Base-Backbone interact. energy: -3.099
local terms energy: -336.156269
where:
bonds (distance) C4'-P energy: -67.020
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -71.361
flat angles P-C4'-P energy: -48.635
tors. eta vs tors. theta energy: -91.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1104.547933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.547933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.547933 (E_RNA)
where:
Base-Base interactions energy: -767.011
where: short stacking energy: -339.015
Base-Backbone interact. energy: -1.714
local terms energy: -335.822437
where:
bonds (distance) C4'-P energy: -58.158
bonds (distance) P-C4' energy: -63.765
flat angles C4'-P-C4' energy: -71.345
flat angles P-C4'-P energy: -46.993
tors. eta vs tors. theta energy: -95.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1042.106164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.106164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.106164 (E_RNA)
where:
Base-Base interactions energy: -727.319
where: short stacking energy: -296.983
Base-Backbone interact. energy: 0.732
local terms energy: -315.519170
where:
bonds (distance) C4'-P energy: -60.215
bonds (distance) P-C4' energy: -51.775
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -50.562
tors. eta vs tors. theta energy: -92.186
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: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1039.516738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.516738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.516738 (E_RNA)
where:
Base-Base interactions energy: -738.672
where: short stacking energy: -322.183
Base-Backbone interact. energy: 1.091
local terms energy: -301.935165
where:
bonds (distance) C4'-P energy: -51.338
bonds (distance) P-C4' energy: -60.035
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -35.399
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: 487
Temperature: 1.100000
Total energy: -958.195306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.195306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.195306 (E_RNA)
where:
Base-Base interactions energy: -657.448
where: short stacking energy: -279.565
Base-Backbone interact. energy: -0.975
local terms energy: -299.772964
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -54.649
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -47.110
tors. eta vs tors. theta energy: -83.686
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: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -820.863727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.863727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.863727 (E_RNA)
where:
Base-Base interactions energy: -559.493
where: short stacking energy: -237.395
Base-Backbone interact. energy: -1.306
local terms energy: -260.063927
where:
bonds (distance) C4'-P energy: -46.493
bonds (distance) P-C4' energy: -57.902
flat angles C4'-P-C4' energy: -56.241
flat angles P-C4'-P energy: -40.753
tors. eta vs tors. theta energy: -58.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -798.035182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.035182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.035182 (E_RNA)
where:
Base-Base interactions energy: -556.204
where: short stacking energy: -239.919
Base-Backbone interact. energy: 3.581
local terms energy: -245.412201
where:
bonds (distance) C4'-P energy: -38.855
bonds (distance) P-C4' energy: -50.347
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -37.349
tors. eta vs tors. theta energy: -61.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -633.846652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.846652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.846652 (E_RNA)
where:
Base-Base interactions energy: -411.724
where: short stacking energy: -187.489
Base-Backbone interact. energy: 0.873
local terms energy: -222.995862
where:
bonds (distance) C4'-P energy: -45.027
bonds (distance) P-C4' energy: -45.803
flat angles C4'-P-C4' energy: -58.892
flat angles P-C4'-P energy: -33.574
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: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -631.205032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.205032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.205032 (E_RNA)
where:
Base-Base interactions energy: -397.841
where: short stacking energy: -177.295
Base-Backbone interact. energy: -0.927
local terms energy: -232.437563
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -53.602
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -41.666
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: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -444.100941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.100941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.100941 (E_RNA)
where:
Base-Base interactions energy: -249.763
where: short stacking energy: -136.158
Base-Backbone interact. energy: 0.352
local terms energy: -194.689913
where:
bonds (distance) C4'-P energy: -51.986
bonds (distance) P-C4' energy: -48.969
flat angles C4'-P-C4' energy: -34.000
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: -20.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1127.470826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.470826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.470826 (E_RNA)
where:
Base-Base interactions energy: -789.633
where: short stacking energy: -329.023
Base-Backbone interact. energy: -2.011
local terms energy: -335.826302
where:
bonds (distance) C4'-P energy: -57.384
bonds (distance) P-C4' energy: -65.915
flat angles C4'-P-C4' energy: -69.383
flat angles P-C4'-P energy: -47.579
tors. eta vs tors. theta energy: -95.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1133.484863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.484863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.484863 (E_RNA)
where:
Base-Base interactions energy: -821.717
where: short stacking energy: -332.687
Base-Backbone interact. energy: 0.936
local terms energy: -312.703000
where:
bonds (distance) C4'-P energy: -53.090
bonds (distance) P-C4' energy: -57.493
flat angles C4'-P-C4' energy: -67.595
flat angles P-C4'-P energy: -43.282
tors. eta vs tors. theta energy: -91.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1046.684812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.684812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.684812 (E_RNA)
where:
Base-Base interactions energy: -721.066
where: short stacking energy: -320.582
Base-Backbone interact. energy: -0.828
local terms energy: -324.791264
where:
bonds (distance) C4'-P energy: -61.053
bonds (distance) P-C4' energy: -61.038
flat angles C4'-P-C4' energy: -62.536
flat angles P-C4'-P energy: -48.753
tors. eta vs tors. theta energy: -91.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1027.898259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.898259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.898259 (E_RNA)
where:
Base-Base interactions energy: -727.503
where: short stacking energy: -305.604
Base-Backbone interact. energy: -0.753
local terms energy: -299.642209
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -67.427
flat angles P-C4'-P energy: -37.785
tors. eta vs tors. theta energy: -87.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -958.000589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.000589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.000589 (E_RNA)
where:
Base-Base interactions energy: -669.029
where: short stacking energy: -282.336
Base-Backbone interact. energy: -0.581
local terms energy: -288.390328
where:
bonds (distance) C4'-P energy: -47.681
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -62.777
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: -76.653
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: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -836.771883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.771883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.771883 (E_RNA)
where:
Base-Base interactions energy: -569.729
where: short stacking energy: -258.405
Base-Backbone interact. energy: -0.747
local terms energy: -266.296818
where:
bonds (distance) C4'-P energy: -61.178
bonds (distance) P-C4' energy: -54.094
flat angles C4'-P-C4' energy: -57.423
flat angles P-C4'-P energy: -23.349
tors. eta vs tors. theta energy: -70.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -736.855669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.855669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.855669 (E_RNA)
where:
Base-Base interactions energy: -493.739
where: short stacking energy: -225.151
Base-Backbone interact. energy: -1.528
local terms energy: -241.588602
where:
bonds (distance) C4'-P energy: -54.648
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -56.362
flat angles P-C4'-P energy: -35.163
tors. eta vs tors. theta energy: -48.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -641.354377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.354377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.354377 (E_RNA)
where:
Base-Base interactions energy: -421.074
where: short stacking energy: -190.526
Base-Backbone interact. energy: -0.380
local terms energy: -219.900094
where:
bonds (distance) C4'-P energy: -49.961
bonds (distance) P-C4' energy: -46.940
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -22.436
tors. eta vs tors. theta energy: -49.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -621.427848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.427848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.427848 (E_RNA)
where:
Base-Base interactions energy: -385.096
where: short stacking energy: -190.757
Base-Backbone interact. energy: 1.483
local terms energy: -237.815001
where:
bonds (distance) C4'-P energy: -46.967
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -59.524
flat angles P-C4'-P energy: -35.941
tors. eta vs tors. theta energy: -42.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -425.969675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.969675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.969675 (E_RNA)
where:
Base-Base interactions energy: -249.707
where: short stacking energy: -146.407
Base-Backbone interact. energy: 1.013
local terms energy: -177.275296
where:
bonds (distance) C4'-P energy: -42.279
bonds (distance) P-C4' energy: -46.038
flat angles C4'-P-C4' energy: -53.128
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -19.603
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: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1111.864533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.864533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.864533 (E_RNA)
where:
Base-Base interactions energy: -780.233
where: short stacking energy: -336.755
Base-Backbone interact. energy: -4.311
local terms energy: -327.320492
where:
bonds (distance) C4'-P energy: -56.805
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -65.017
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -101.941
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: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1130.745016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.745016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.745016 (E_RNA)
where:
Base-Base interactions energy: -794.705
where: short stacking energy: -312.127
Base-Backbone interact. energy: -1.643
local terms energy: -334.397064
where:
bonds (distance) C4'-P energy: -49.725
bonds (distance) P-C4' energy: -67.717
flat angles C4'-P-C4' energy: -68.860
flat angles P-C4'-P energy: -53.527
tors. eta vs tors. theta energy: -94.568
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: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1061.354937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.354937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.354937 (E_RNA)
where:
Base-Base interactions energy: -726.657
where: short stacking energy: -300.112
Base-Backbone interact. energy: -1.215
local terms energy: -333.482732
where:
bonds (distance) C4'-P energy: -63.960
bonds (distance) P-C4' energy: -62.547
flat angles C4'-P-C4' energy: -71.004
flat angles P-C4'-P energy: -50.175
tors. eta vs tors. theta energy: -85.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -967.178326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.178326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.178326 (E_RNA)
where:
Base-Base interactions energy: -669.036
where: short stacking energy: -287.520
Base-Backbone interact. energy: 5.323
local terms energy: -303.465399
where:
bonds (distance) C4'-P energy: -59.963
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -60.424
flat angles P-C4'-P energy: -50.573
tors. eta vs tors. theta energy: -83.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1012.203215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.203215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.203215 (E_RNA)
where:
Base-Base interactions energy: -700.534
where: short stacking energy: -292.548
Base-Backbone interact. energy: -0.193
local terms energy: -311.475850
where:
bonds (distance) C4'-P energy: -64.160
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -85.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -855.709279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.709279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.709279 (E_RNA)
where:
Base-Base interactions energy: -583.619
where: short stacking energy: -260.189
Base-Backbone interact. energy: -0.979
local terms energy: -271.111143
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -62.901
flat angles P-C4'-P energy: -40.835
tors. eta vs tors. theta energy: -67.275
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: 489
Temperature: 1.200000
Total energy: -808.685493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.685493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.685493 (E_RNA)
where:
Base-Base interactions energy: -542.162
where: short stacking energy: -242.930
Base-Backbone interact. energy: -2.168
local terms energy: -264.354880
where:
bonds (distance) C4'-P energy: -57.937
bonds (distance) P-C4' energy: -46.956
flat angles C4'-P-C4' energy: -56.489
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -65.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -639.990427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.990427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.990427 (E_RNA)
where:
Base-Base interactions energy: -425.096
where: short stacking energy: -188.162
Base-Backbone interact. energy: -0.714
local terms energy: -214.180072
where:
bonds (distance) C4'-P energy: -36.354
bonds (distance) P-C4' energy: -49.409
flat angles C4'-P-C4' energy: -54.269
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -43.013
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: 8
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -611.490136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.490136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.490136 (E_RNA)
where:
Base-Base interactions energy: -387.664
where: short stacking energy: -180.240
Base-Backbone interact. energy: -1.156
local terms energy: -222.670913
where:
bonds (distance) C4'-P energy: -53.705
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -32.420
tors. eta vs tors. theta energy: -34.041
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: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -474.144627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.144627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.144627 (E_RNA)
where:
Base-Base interactions energy: -271.597
where: short stacking energy: -139.666
Base-Backbone interact. energy: -0.841
local terms energy: -201.707215
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -36.917
flat angles P-C4'-P energy: -36.857
tors. eta vs tors. theta energy: -27.490
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: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1133.946778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.946778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.946778 (E_RNA)
where:
Base-Base interactions energy: -785.007
where: short stacking energy: -320.126
Base-Backbone interact. energy: -2.392
local terms energy: -346.547133
where:
bonds (distance) C4'-P energy: -67.751
bonds (distance) P-C4' energy: -65.959
flat angles C4'-P-C4' energy: -72.324
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -96.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1127.999253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.999253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.999253 (E_RNA)
where:
Base-Base interactions energy: -795.701
where: short stacking energy: -316.427
Base-Backbone interact. energy: 1.409
local terms energy: -333.707884
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -71.414
flat angles C4'-P-C4' energy: -71.270
flat angles P-C4'-P energy: -44.932
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: 3, replica: 1
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1051.643806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.643806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.643806 (E_RNA)
where:
Base-Base interactions energy: -734.912
where: short stacking energy: -322.747
Base-Backbone interact. energy: 0.066
local terms energy: -316.798015
where:
bonds (distance) C4'-P energy: -43.045
bonds (distance) P-C4' energy: -65.595
flat angles C4'-P-C4' energy: -61.759
flat angles P-C4'-P energy: -47.178
tors. eta vs tors. theta energy: -99.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -961.935628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.935628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.935628 (E_RNA)
where:
Base-Base interactions energy: -658.037
where: short stacking energy: -301.395
Base-Backbone interact. energy: -0.308
local terms energy: -303.590196
where:
bonds (distance) C4'-P energy: -50.389
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -60.939
flat angles P-C4'-P energy: -48.641
tors. eta vs tors. theta energy: -86.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1018.748296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.748296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.748296 (E_RNA)
where:
Base-Base interactions energy: -716.301
where: short stacking energy: -293.474
Base-Backbone interact. energy: -2.893
local terms energy: -299.554254
where:
bonds (distance) C4'-P energy: -57.278
bonds (distance) P-C4' energy: -61.022
flat angles C4'-P-C4' energy: -59.467
flat angles P-C4'-P energy: -36.278
tors. eta vs tors. theta energy: -85.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -860.387788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.387788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.387788 (E_RNA)
where:
Base-Base interactions energy: -572.122
where: short stacking energy: -246.600
Base-Backbone interact. energy: -0.531
local terms energy: -287.734835
where:
bonds (distance) C4'-P energy: -50.961
bonds (distance) P-C4' energy: -59.822
flat angles C4'-P-C4' energy: -67.342
flat angles P-C4'-P energy: -46.244
tors. eta vs tors. theta energy: -63.365
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: 490
Temperature: 1.200000
Total energy: -798.344752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.344752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.344752 (E_RNA)
where:
Base-Base interactions energy: -535.197
where: short stacking energy: -230.031
Base-Backbone interact. energy: -0.263
local terms energy: -262.884726
where:
bonds (distance) C4'-P energy: -53.865
bonds (distance) P-C4' energy: -49.603
flat angles C4'-P-C4' energy: -64.197
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -56.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -582.951272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.951272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.951272 (E_RNA)
where:
Base-Base interactions energy: -362.430
where: short stacking energy: -167.593
Base-Backbone interact. energy: 0.560
local terms energy: -221.081255
where:
bonds (distance) C4'-P energy: -53.915
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -50.446
flat angles P-C4'-P energy: -32.676
tors. eta vs tors. theta energy: -28.853
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: 8
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -623.442462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.442462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.442462 (E_RNA)
where:
Base-Base interactions energy: -422.637
where: short stacking energy: -179.960
Base-Backbone interact. energy: 3.063
local terms energy: -203.868639
where:
bonds (distance) C4'-P energy: -39.178
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -56.395
flat angles P-C4'-P energy: -28.757
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -453.696724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.696724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.696724 (E_RNA)
where:
Base-Base interactions energy: -275.339
where: short stacking energy: -133.539
Base-Backbone interact. energy: 2.292
local terms energy: -180.649201
where:
bonds (distance) C4'-P energy: -50.185
bonds (distance) P-C4' energy: -46.748
flat angles C4'-P-C4' energy: -54.371
flat angles P-C4'-P energy: -21.425
tors. eta vs tors. theta energy: -7.920
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: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1134.768414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.768414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.768414 (E_RNA)
where:
Base-Base interactions energy: -804.791
where: short stacking energy: -331.429
Base-Backbone interact. energy: -0.756
local terms energy: -329.221370
where:
bonds (distance) C4'-P energy: -58.180
bonds (distance) P-C4' energy: -62.533
flat angles C4'-P-C4' energy: -72.783
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -97.084
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: 491
Temperature: 0.950000
Total energy: -1125.075551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.075551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.075551 (E_RNA)
where:
Base-Base interactions energy: -804.780
where: short stacking energy: -333.456
Base-Backbone interact. energy: -2.139
local terms energy: -318.157298
where:
bonds (distance) C4'-P energy: -56.626
bonds (distance) P-C4' energy: -57.427
flat angles C4'-P-C4' energy: -65.206
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -94.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1061.109176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.109176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.109176 (E_RNA)
where:
Base-Base interactions energy: -738.908
where: short stacking energy: -310.171
Base-Backbone interact. energy: -0.910
local terms energy: -321.291362
where:
bonds (distance) C4'-P energy: -60.564
bonds (distance) P-C4' energy: -53.111
flat angles C4'-P-C4' energy: -69.314
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -96.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1049.450701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.450701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.450701 (E_RNA)
where:
Base-Base interactions energy: -752.722
where: short stacking energy: -315.422
Base-Backbone interact. energy: -1.030
local terms energy: -295.698851
where:
bonds (distance) C4'-P energy: -56.826
bonds (distance) P-C4' energy: -44.991
flat angles C4'-P-C4' energy: -59.038
flat angles P-C4'-P energy: -41.767
tors. eta vs tors. theta energy: -93.077
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: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -941.600386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.600386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.600386 (E_RNA)
where:
Base-Base interactions energy: -644.245
where: short stacking energy: -277.279
Base-Backbone interact. energy: -0.274
local terms energy: -297.081842
where:
bonds (distance) C4'-P energy: -50.017
bonds (distance) P-C4' energy: -54.153
flat angles C4'-P-C4' energy: -67.799
flat angles P-C4'-P energy: -46.545
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: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -884.675225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.675225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.675225 (E_RNA)
where:
Base-Base interactions energy: -595.126
where: short stacking energy: -255.964
Base-Backbone interact. energy: 0.673
local terms energy: -290.222229
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -59.564
flat angles C4'-P-C4' energy: -59.927
flat angles P-C4'-P energy: -43.146
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: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -792.002975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.002975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.002975 (E_RNA)
where:
Base-Base interactions energy: -541.458
where: short stacking energy: -229.585
Base-Backbone interact. energy: -0.710
local terms energy: -249.834881
where:
bonds (distance) C4'-P energy: -47.161
bonds (distance) P-C4' energy: -58.388
flat angles C4'-P-C4' energy: -56.066
flat angles P-C4'-P energy: -32.321
tors. eta vs tors. theta energy: -55.899
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: 8
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -669.815502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.815502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.815502 (E_RNA)
where:
Base-Base interactions energy: -435.634
where: short stacking energy: -208.379
Base-Backbone interact. energy: 1.614
local terms energy: -235.795920
where:
bonds (distance) C4'-P energy: -58.119
bonds (distance) P-C4' energy: -55.798
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -48.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -543.036740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.036740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.036740 (E_RNA)
where:
Base-Base interactions energy: -331.850
where: short stacking energy: -168.224
Base-Backbone interact. energy: 0.911
local terms energy: -212.098019
where:
bonds (distance) C4'-P energy: -50.623
bonds (distance) P-C4' energy: -53.503
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -27.877
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -446.045328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.045328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.045328 (E_RNA)
where:
Base-Base interactions energy: -254.897
where: short stacking energy: -148.439
Base-Backbone interact. energy: -1.013
local terms energy: -190.135328
where:
bonds (distance) C4'-P energy: -54.484
bonds (distance) P-C4' energy: -36.317
flat angles C4'-P-C4' energy: -49.341
flat angles P-C4'-P energy: -31.508
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1161.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.084614 (E_RNA)
where:
Base-Base interactions energy: -841.967
where: short stacking energy: -336.832
Base-Backbone interact. energy: 0.027
local terms energy: -319.144575
where:
bonds (distance) C4'-P energy: -63.623
bonds (distance) P-C4' energy: -65.521
flat angles C4'-P-C4' energy: -60.666
flat angles P-C4'-P energy: -36.281
tors. eta vs tors. theta energy: -93.054
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: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1108.178020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.178020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.178020 (E_RNA)
where:
Base-Base interactions energy: -785.288
where: short stacking energy: -331.072
Base-Backbone interact. energy: -1.030
local terms energy: -321.860024
where:
bonds (distance) C4'-P energy: -61.821
bonds (distance) P-C4' energy: -53.194
flat angles C4'-P-C4' energy: -62.729
flat angles P-C4'-P energy: -48.112
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: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1057.627629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.627629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.627629 (E_RNA)
where:
Base-Base interactions energy: -733.272
where: short stacking energy: -323.667
Base-Backbone interact. energy: -1.050
local terms energy: -323.305954
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -46.684
flat angles C4'-P-C4' energy: -74.402
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -99.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1015.273287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.273287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.273287 (E_RNA)
where:
Base-Base interactions energy: -716.379
where: short stacking energy: -307.155
Base-Backbone interact. energy: -1.231
local terms energy: -297.662904
where:
bonds (distance) C4'-P energy: -60.851
bonds (distance) P-C4' energy: -53.237
flat angles C4'-P-C4' energy: -63.518
flat angles P-C4'-P energy: -31.706
tors. eta vs tors. theta energy: -88.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -962.956810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.956810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.956810 (E_RNA)
where:
Base-Base interactions energy: -662.362
where: short stacking energy: -297.604
Base-Backbone interact. energy: -1.165
local terms energy: -299.429514
where:
bonds (distance) C4'-P energy: -50.745
bonds (distance) P-C4' energy: -52.190
flat angles C4'-P-C4' energy: -62.509
flat angles P-C4'-P energy: -48.439
tors. eta vs tors. theta energy: -85.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -896.378803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.378803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.378803 (E_RNA)
where:
Base-Base interactions energy: -623.556
where: short stacking energy: -259.537
Base-Backbone interact. energy: 1.242
local terms energy: -274.065575
where:
bonds (distance) C4'-P energy: -53.255
bonds (distance) P-C4' energy: -45.049
flat angles C4'-P-C4' energy: -64.520
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -69.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -812.815077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.815077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.815077 (E_RNA)
where:
Base-Base interactions energy: -543.477
where: short stacking energy: -234.884
Base-Backbone interact. energy: -1.134
local terms energy: -268.204173
where:
bonds (distance) C4'-P energy: -45.929
bonds (distance) P-C4' energy: -57.765
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -45.233
tors. eta vs tors. theta energy: -57.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -664.065819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.065819 (E_RNA)
where:
Base-Base interactions energy: -422.175
where: short stacking energy: -214.582
Base-Backbone interact. energy: -0.381
local terms energy: -241.510644
where:
bonds (distance) C4'-P energy: -54.982
bonds (distance) P-C4' energy: -44.749
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -33.730
tors. eta vs tors. theta energy: -49.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -549.039397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.039397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.039397 (E_RNA)
where:
Base-Base interactions energy: -345.174
where: short stacking energy: -155.931
Base-Backbone interact. energy: 4.388
local terms energy: -208.253491
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -36.088
flat angles C4'-P-C4' energy: -46.262
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -458.570878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.570878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.570878 (E_RNA)
where:
Base-Base interactions energy: -266.758
where: short stacking energy: -127.187
Base-Backbone interact. energy: -1.351
local terms energy: -190.462038
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -53.315
flat angles C4'-P-C4' energy: -54.078
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -9.431
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: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1160.345287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.345287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.345287 (E_RNA)
where:
Base-Base interactions energy: -844.292
where: short stacking energy: -333.704
Base-Backbone interact. energy: 1.800
local terms energy: -317.852981
where:
bonds (distance) C4'-P energy: -64.043
bonds (distance) P-C4' energy: -60.447
flat angles C4'-P-C4' energy: -64.149
flat angles P-C4'-P energy: -41.135
tors. eta vs tors. theta energy: -88.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1092.034726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.034726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.034726 (E_RNA)
where:
Base-Base interactions energy: -758.114
where: short stacking energy: -329.009
Base-Backbone interact. energy: -2.929
local terms energy: -330.991921
where:
bonds (distance) C4'-P energy: -64.069
bonds (distance) P-C4' energy: -61.548
flat angles C4'-P-C4' energy: -66.343
flat angles P-C4'-P energy: -42.995
tors. eta vs tors. theta energy: -96.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1046.387938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.387938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.387938 (E_RNA)
where:
Base-Base interactions energy: -722.514
where: short stacking energy: -311.093
Base-Backbone interact. energy: -1.731
local terms energy: -322.143495
where:
bonds (distance) C4'-P energy: -66.821
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -66.231
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -94.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1024.090498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.090498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.090498 (E_RNA)
where:
Base-Base interactions energy: -724.124
where: short stacking energy: -300.097
Base-Backbone interact. energy: 0.504
local terms energy: -300.469945
where:
bonds (distance) C4'-P energy: -51.333
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -63.904
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -82.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -962.630735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.630735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.630735 (E_RNA)
where:
Base-Base interactions energy: -670.393
where: short stacking energy: -291.836
Base-Backbone interact. energy: -2.040
local terms energy: -290.197491
where:
bonds (distance) C4'-P energy: -51.162
bonds (distance) P-C4' energy: -50.955
flat angles C4'-P-C4' energy: -59.306
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -85.336
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: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -876.654828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.654828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.654828 (E_RNA)
where:
Base-Base interactions energy: -612.918
where: short stacking energy: -272.093
Base-Backbone interact. energy: -2.352
local terms energy: -261.385048
where:
bonds (distance) C4'-P energy: -57.145
bonds (distance) P-C4' energy: -45.589
flat angles C4'-P-C4' energy: -47.012
flat angles P-C4'-P energy: -30.720
tors. eta vs tors. theta energy: -80.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -789.715946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.715946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.715946 (E_RNA)
where:
Base-Base interactions energy: -531.987
where: short stacking energy: -247.108
Base-Backbone interact. energy: -2.068
local terms energy: -255.660807
where:
bonds (distance) C4'-P energy: -42.447
bonds (distance) P-C4' energy: -45.551
flat angles C4'-P-C4' energy: -65.308
flat angles P-C4'-P energy: -38.482
tors. eta vs tors. theta energy: -63.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -661.427420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.427420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.427420 (E_RNA)
where:
Base-Base interactions energy: -436.698
where: short stacking energy: -194.796
Base-Backbone interact. energy: -0.005
local terms energy: -224.724034
where:
bonds (distance) C4'-P energy: -47.708
bonds (distance) P-C4' energy: -61.028
flat angles C4'-P-C4' energy: -48.186
flat angles P-C4'-P energy: -32.536
tors. eta vs tors. theta energy: -35.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -488.811206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.811206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.811206 (E_RNA)
where:
Base-Base interactions energy: -301.187
where: short stacking energy: -143.124
Base-Backbone interact. energy: -0.873
local terms energy: -186.750258
where:
bonds (distance) C4'-P energy: -31.159
bonds (distance) P-C4' energy: -62.459
flat angles C4'-P-C4' energy: -56.280
flat angles P-C4'-P energy: -21.232
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -453.522023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.522023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.522023 (E_RNA)
where:
Base-Base interactions energy: -256.404
where: short stacking energy: -125.977
Base-Backbone interact. energy: -3.072
local terms energy: -194.045865
where:
bonds (distance) C4'-P energy: -53.937
bonds (distance) P-C4' energy: -55.897
flat angles C4'-P-C4' energy: -40.205
flat angles P-C4'-P energy: -21.135
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1153.281536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.281536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.281536 (E_RNA)
where:
Base-Base interactions energy: -829.465
where: short stacking energy: -335.190
Base-Backbone interact. energy: 0.181
local terms energy: -323.997641
where:
bonds (distance) C4'-P energy: -56.662
bonds (distance) P-C4' energy: -62.730
flat angles C4'-P-C4' energy: -68.778
flat angles P-C4'-P energy: -46.053
tors. eta vs tors. theta energy: -89.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1084.180510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.180510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.180510 (E_RNA)
where:
Base-Base interactions energy: -751.403
where: short stacking energy: -330.993
Base-Backbone interact. energy: 0.558
local terms energy: -333.334861
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -68.087
flat angles P-C4'-P energy: -53.270
tors. eta vs tors. theta energy: -92.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1063.791197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.791197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.791197 (E_RNA)
where:
Base-Base interactions energy: -732.675
where: short stacking energy: -327.971
Base-Backbone interact. energy: -1.198
local terms energy: -329.917643
where:
bonds (distance) C4'-P energy: -62.381
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -71.622
flat angles P-C4'-P energy: -44.109
tors. eta vs tors. theta energy: -93.572
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: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -993.411052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.411052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.411052 (E_RNA)
where:
Base-Base interactions energy: -701.090
where: short stacking energy: -291.988
Base-Backbone interact. energy: -0.954
local terms energy: -291.366868
where:
bonds (distance) C4'-P energy: -61.304
bonds (distance) P-C4' energy: -54.982
flat angles C4'-P-C4' energy: -63.045
flat angles P-C4'-P energy: -24.029
tors. eta vs tors. theta energy: -88.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -985.454377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.454377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.454377 (E_RNA)
where:
Base-Base interactions energy: -679.157
where: short stacking energy: -299.929
Base-Backbone interact. energy: 0.735
local terms energy: -307.032743
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -47.891
flat angles C4'-P-C4' energy: -63.274
flat angles P-C4'-P energy: -51.331
tors. eta vs tors. theta energy: -91.080
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: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -843.494119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.494119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.494119 (E_RNA)
where:
Base-Base interactions energy: -587.415
where: short stacking energy: -249.783
Base-Backbone interact. energy: 2.229
local terms energy: -258.308187
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -50.114
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -43.145
tors. eta vs tors. theta energy: -63.750
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: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -810.135726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.135726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.135726 (E_RNA)
where:
Base-Base interactions energy: -557.033
where: short stacking energy: -246.635
Base-Backbone interact. energy: -1.501
local terms energy: -251.601866
where:
bonds (distance) C4'-P energy: -52.243
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -59.342
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -648.819098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.819098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.819098 (E_RNA)
where:
Base-Base interactions energy: -419.814
where: short stacking energy: -171.427
Base-Backbone interact. energy: -1.237
local terms energy: -227.767611
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -55.590
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: -37.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -459.347916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.347916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.347916 (E_RNA)
where:
Base-Base interactions energy: -269.049
where: short stacking energy: -140.673
Base-Backbone interact. energy: -1.158
local terms energy: -189.140416
where:
bonds (distance) C4'-P energy: -60.031
bonds (distance) P-C4' energy: -45.107
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -27.359
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -434.942886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.942886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.942886 (E_RNA)
where:
Base-Base interactions energy: -242.352
where: short stacking energy: -117.234
Base-Backbone interact. energy: 0.496
local terms energy: -193.086246
where:
bonds (distance) C4'-P energy: -52.083
bonds (distance) P-C4' energy: -48.963
flat angles C4'-P-C4' energy: -53.039
flat angles P-C4'-P energy: -25.110
tors. eta vs tors. theta energy: -13.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1146.195818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.195818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.195818 (E_RNA)
where:
Base-Base interactions energy: -826.074
where: short stacking energy: -342.374
Base-Backbone interact. energy: 0.030
local terms energy: -320.151213
where:
bonds (distance) C4'-P energy: -54.944
bonds (distance) P-C4' energy: -65.259
flat angles C4'-P-C4' energy: -74.449
flat angles P-C4'-P energy: -36.474
tors. eta vs tors. theta energy: -89.024
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: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1069.256902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.256902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.256902 (E_RNA)
where:
Base-Base interactions energy: -763.932
where: short stacking energy: -319.984
Base-Backbone interact. energy: -0.203
local terms energy: -305.122333
where:
bonds (distance) C4'-P energy: -55.202
bonds (distance) P-C4' energy: -57.406
flat angles C4'-P-C4' energy: -64.956
flat angles P-C4'-P energy: -44.090
tors. eta vs tors. theta energy: -83.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1050.135273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.135273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.135273 (E_RNA)
where:
Base-Base interactions energy: -754.263
where: short stacking energy: -325.354
Base-Backbone interact. energy: -0.694
local terms energy: -295.178210
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -49.232
flat angles C4'-P-C4' energy: -64.431
flat angles P-C4'-P energy: -35.718
tors. eta vs tors. theta energy: -95.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1019.515227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.515227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.515227 (E_RNA)
where:
Base-Base interactions energy: -730.571
where: short stacking energy: -295.877
Base-Backbone interact. energy: -0.299
local terms energy: -288.645922
where:
bonds (distance) C4'-P energy: -37.610
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -66.848
flat angles P-C4'-P energy: -41.094
tors. eta vs tors. theta energy: -88.073
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: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -974.022072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.022072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.022072 (E_RNA)
where:
Base-Base interactions energy: -677.159
where: short stacking energy: -307.163
Base-Backbone interact. energy: -2.541
local terms energy: -294.321999
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -53.448
flat angles C4'-P-C4' energy: -62.349
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: -90.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -881.624220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.624220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.624220 (E_RNA)
where:
Base-Base interactions energy: -600.449
where: short stacking energy: -256.594
Base-Backbone interact. energy: 0.022
local terms energy: -281.196689
where:
bonds (distance) C4'-P energy: -51.887
bonds (distance) P-C4' energy: -60.644
flat angles C4'-P-C4' energy: -60.025
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -68.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -795.688392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.688392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.688392 (E_RNA)
where:
Base-Base interactions energy: -535.620
where: short stacking energy: -230.271
Base-Backbone interact. energy: -1.375
local terms energy: -258.693704
where:
bonds (distance) C4'-P energy: -61.524
bonds (distance) P-C4' energy: -46.717
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -57.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -654.767936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.767936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.767936 (E_RNA)
where:
Base-Base interactions energy: -435.562
where: short stacking energy: -216.632
Base-Backbone interact. energy: -0.138
local terms energy: -219.068552
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -41.427
flat angles C4'-P-C4' energy: -52.586
flat angles P-C4'-P energy: -39.218
tors. eta vs tors. theta energy: -40.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -479.074575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.074575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.074575 (E_RNA)
where:
Base-Base interactions energy: -292.174
where: short stacking energy: -141.955
Base-Backbone interact. energy: -1.267
local terms energy: -185.633167
where:
bonds (distance) C4'-P energy: -42.357
bonds (distance) P-C4' energy: -52.185
flat angles C4'-P-C4' energy: -41.515
flat angles P-C4'-P energy: -37.372
tors. eta vs tors. theta energy: -12.204
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: 7
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -465.894695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.894695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.894695 (E_RNA)
where:
Base-Base interactions energy: -269.393
where: short stacking energy: -127.824
Base-Backbone interact. energy: -0.308
local terms energy: -196.193661
where:
bonds (distance) C4'-P energy: -45.614
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -53.086
flat angles P-C4'-P energy: -31.969
tors. eta vs tors. theta energy: -12.464
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: 496
Temperature: 0.900000
Total energy: -1182.911960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.911960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.911960 (E_RNA)
where:
Base-Base interactions energy: -844.696
where: short stacking energy: -331.775
Base-Backbone interact. energy: -1.068
local terms energy: -337.147470
where:
bonds (distance) C4'-P energy: -62.463
bonds (distance) P-C4' energy: -66.168
flat angles C4'-P-C4' energy: -73.208
flat angles P-C4'-P energy: -41.236
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: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1079.615950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.615950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.615950 (E_RNA)
where:
Base-Base interactions energy: -752.069
where: short stacking energy: -312.721
Base-Backbone interact. energy: -1.027
local terms energy: -326.519683
where:
bonds (distance) C4'-P energy: -56.891
bonds (distance) P-C4' energy: -61.554
flat angles C4'-P-C4' energy: -71.251
flat angles P-C4'-P energy: -45.684
tors. eta vs tors. theta energy: -91.139
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: 1
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1029.318820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.318820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.318820 (E_RNA)
where:
Base-Base interactions energy: -721.199
where: short stacking energy: -298.248
Base-Backbone interact. energy: -0.244
local terms energy: -307.875858
where:
bonds (distance) C4'-P energy: -61.045
bonds (distance) P-C4' energy: -55.516
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -42.282
tors. eta vs tors. theta energy: -86.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1024.590385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.590385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.590385 (E_RNA)
where:
Base-Base interactions energy: -705.568
where: short stacking energy: -298.303
Base-Backbone interact. energy: -0.562
local terms energy: -318.460508
where:
bonds (distance) C4'-P energy: -59.202
bonds (distance) P-C4' energy: -51.754
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -85.415
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: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -981.883011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.883011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.883011 (E_RNA)
where:
Base-Base interactions energy: -684.358
where: short stacking energy: -308.597
Base-Backbone interact. energy: -1.308
local terms energy: -296.216733
where:
bonds (distance) C4'-P energy: -52.306
bonds (distance) P-C4' energy: -48.476
flat angles C4'-P-C4' energy: -62.017
flat angles P-C4'-P energy: -45.579
tors. eta vs tors. theta energy: -87.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -888.195999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.195999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.195999 (E_RNA)
where:
Base-Base interactions energy: -609.526
where: short stacking energy: -280.543
Base-Backbone interact. energy: 0.027
local terms energy: -278.696362
where:
bonds (distance) C4'-P energy: -53.161
bonds (distance) P-C4' energy: -47.803
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -38.234
tors. eta vs tors. theta energy: -79.014
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: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -812.160829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.160829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.160829 (E_RNA)
where:
Base-Base interactions energy: -546.933
where: short stacking energy: -247.664
Base-Backbone interact. energy: -2.320
local terms energy: -262.907214
where:
bonds (distance) C4'-P energy: -46.932
bonds (distance) P-C4' energy: -62.115
flat angles C4'-P-C4' energy: -49.914
flat angles P-C4'-P energy: -43.852
tors. eta vs tors. theta energy: -60.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -649.643997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.643997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.643997 (E_RNA)
where:
Base-Base interactions energy: -445.264
where: short stacking energy: -205.560
Base-Backbone interact. energy: -0.192
local terms energy: -204.187513
where:
bonds (distance) C4'-P energy: -37.385
bonds (distance) P-C4' energy: -41.457
flat angles C4'-P-C4' energy: -57.102
flat angles P-C4'-P energy: -25.810
tors. eta vs tors. theta energy: -42.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -473.673438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.673438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.673438 (E_RNA)
where:
Base-Base interactions energy: -296.639
where: short stacking energy: -152.152
Base-Backbone interact. energy: -1.059
local terms energy: -175.975810
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -44.099
flat angles C4'-P-C4' energy: -36.864
flat angles P-C4'-P energy: -27.454
tors. eta vs tors. theta energy: -14.878
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: 4
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -490.100773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.100773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.100773 (E_RNA)
where:
Base-Base interactions energy: -302.054
where: short stacking energy: -133.986
Base-Backbone interact. energy: -1.160
local terms energy: -186.887314
where:
bonds (distance) C4'-P energy: -49.219
bonds (distance) P-C4' energy: -51.995
flat angles C4'-P-C4' energy: -49.226
flat angles P-C4'-P energy: -25.329
tors. eta vs tors. theta energy: -11.119
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: 497
Temperature: 0.900000
Total energy: -1181.532736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.532736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.532736 (E_RNA)
where:
Base-Base interactions energy: -850.966
where: short stacking energy: -334.047
Base-Backbone interact. energy: -1.821
local terms energy: -328.745104
where:
bonds (distance) C4'-P energy: -55.663
bonds (distance) P-C4' energy: -66.725
flat angles C4'-P-C4' energy: -67.776
flat angles P-C4'-P energy: -45.374
tors. eta vs tors. theta energy: -93.207
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: 2, replica: 6
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1093.120119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.120119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.120119 (E_RNA)
where:
Base-Base interactions energy: -776.453
where: short stacking energy: -306.041
Base-Backbone interact. energy: -1.626
local terms energy: -315.041059
where:
bonds (distance) C4'-P energy: -58.549
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -71.106
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -90.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1059.508265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.508265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.508265 (E_RNA)
where:
Base-Base interactions energy: -745.154
where: short stacking energy: -325.071
Base-Backbone interact. energy: -1.060
local terms energy: -313.294259
where:
bonds (distance) C4'-P energy: -57.320
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -68.918
flat angles P-C4'-P energy: -47.047
tors. eta vs tors. theta energy: -90.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1039.119781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.119781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.119781 (E_RNA)
where:
Base-Base interactions energy: -751.229
where: short stacking energy: -316.536
Base-Backbone interact. energy: -1.606
local terms energy: -286.284690
where:
bonds (distance) C4'-P energy: -55.108
bonds (distance) P-C4' energy: -52.844
flat angles C4'-P-C4' energy: -58.741
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -85.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -974.550841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.550841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.550841 (E_RNA)
where:
Base-Base interactions energy: -682.193
where: short stacking energy: -288.398
Base-Backbone interact. energy: -1.171
local terms energy: -291.187205
where:
bonds (distance) C4'-P energy: -57.343
bonds (distance) P-C4' energy: -55.197
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -32.221
tors. eta vs tors. theta energy: -82.548
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: 9
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -879.482489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.482489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.482489 (E_RNA)
where:
Base-Base interactions energy: -592.676
where: short stacking energy: -283.324
Base-Backbone interact. energy: 2.076
local terms energy: -288.881706
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -51.558
flat angles C4'-P-C4' energy: -70.222
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -82.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -780.788234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.788234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.788234 (E_RNA)
where:
Base-Base interactions energy: -532.030
where: short stacking energy: -243.617
Base-Backbone interact. energy: -0.487
local terms energy: -248.270990
where:
bonds (distance) C4'-P energy: -45.615
bonds (distance) P-C4' energy: -53.549
flat angles C4'-P-C4' energy: -51.495
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -57.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -627.721123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.721123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.721123 (E_RNA)
where:
Base-Base interactions energy: -393.391
where: short stacking energy: -184.164
Base-Backbone interact. energy: -1.084
local terms energy: -233.246087
where:
bonds (distance) C4'-P energy: -55.863
bonds (distance) P-C4' energy: -61.353
flat angles C4'-P-C4' energy: -53.324
flat angles P-C4'-P energy: -32.185
tors. eta vs tors. theta energy: -30.521
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: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -430.181790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.181790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.181790 (E_RNA)
where:
Base-Base interactions energy: -232.316
where: short stacking energy: -131.756
Base-Backbone interact. energy: 0.765
local terms energy: -198.630620
where:
bonds (distance) C4'-P energy: -49.908
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -34.583
tors. eta vs tors. theta energy: -17.769
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: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -491.428089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.428089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.428089 (E_RNA)
where:
Base-Base interactions energy: -313.658
where: short stacking energy: -133.224
Base-Backbone interact. energy: -0.740
local terms energy: -177.029545
where:
bonds (distance) C4'-P energy: -33.022
bonds (distance) P-C4' energy: -52.168
flat angles C4'-P-C4' energy: -45.576
flat angles P-C4'-P energy: -27.220
tors. eta vs tors. theta energy: -19.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1182.510701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.510701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.510701 (E_RNA)
where:
Base-Base interactions energy: -850.969
where: short stacking energy: -342.955
Base-Backbone interact. energy: -0.957
local terms energy: -330.584385
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -52.515
flat angles C4'-P-C4' energy: -71.601
flat angles P-C4'-P energy: -46.983
tors. eta vs tors. theta energy: -95.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1111.003539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.003539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.003539 (E_RNA)
where:
Base-Base interactions energy: -780.621
where: short stacking energy: -322.655
Base-Backbone interact. energy: -2.508
local terms energy: -327.874634
where:
bonds (distance) C4'-P energy: -59.796
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -71.219
flat angles P-C4'-P energy: -50.748
tors. eta vs tors. theta energy: -91.538
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: 1
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1045.087713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.087713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.087713 (E_RNA)
where:
Base-Base interactions energy: -744.423
where: short stacking energy: -337.839
Base-Backbone interact. energy: -0.838
local terms energy: -299.827215
where:
bonds (distance) C4'-P energy: -40.770
bonds (distance) P-C4' energy: -57.243
flat angles C4'-P-C4' energy: -68.607
flat angles P-C4'-P energy: -39.621
tors. eta vs tors. theta energy: -93.587
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: 498
Temperature: 1.050000
Total energy: -1049.180455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.180455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.180455 (E_RNA)
where:
Base-Base interactions energy: -755.288
where: short stacking energy: -306.971
Base-Backbone interact. energy: -0.333
local terms energy: -293.558819
where:
bonds (distance) C4'-P energy: -56.119
bonds (distance) P-C4' energy: -56.732
flat angles C4'-P-C4' energy: -57.870
flat angles P-C4'-P energy: -39.455
tors. eta vs tors. theta energy: -83.383
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: 5
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -991.520345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.520345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.520345 (E_RNA)
where:
Base-Base interactions energy: -704.890
where: short stacking energy: -299.510
Base-Backbone interact. energy: -0.901
local terms energy: -285.728854
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -41.650
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -42.190
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: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -880.376220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.376220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.376220 (E_RNA)
where:
Base-Base interactions energy: -596.041
where: short stacking energy: -277.503
Base-Backbone interact. energy: -1.135
local terms energy: -283.200407
where:
bonds (distance) C4'-P energy: -55.739
bonds (distance) P-C4' energy: -49.948
flat angles C4'-P-C4' energy: -66.054
flat angles P-C4'-P energy: -37.727
tors. eta vs tors. theta energy: -73.733
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: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -795.028731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.028731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.028731 (E_RNA)
where:
Base-Base interactions energy: -539.667
where: short stacking energy: -227.858
Base-Backbone interact. energy: -2.072
local terms energy: -253.290026
where:
bonds (distance) C4'-P energy: -42.014
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -54.148
flat angles P-C4'-P energy: -41.347
tors. eta vs tors. theta energy: -57.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -621.863053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.863053 (E_RNA)
where:
Base-Base interactions energy: -385.834
where: short stacking energy: -186.199
Base-Backbone interact. energy: -0.387
local terms energy: -235.641375
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -54.378
flat angles C4'-P-C4' energy: -61.048
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -39.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -556.425172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.425172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.425172 (E_RNA)
where:
Base-Base interactions energy: -351.088
where: short stacking energy: -163.242
Base-Backbone interact. energy: 2.479
local terms energy: -207.815505
where:
bonds (distance) C4'-P energy: -39.232
bonds (distance) P-C4' energy: -51.346
flat angles C4'-P-C4' energy: -54.557
flat angles P-C4'-P energy: -32.532
tors. eta vs tors. theta energy: -30.148
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: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -414.478617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.478617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.478617 (E_RNA)
where:
Base-Base interactions energy: -235.143
where: short stacking energy: -127.620
Base-Backbone interact. energy: 0.738
local terms energy: -180.073908
where:
bonds (distance) C4'-P energy: -39.887
bonds (distance) P-C4' energy: -51.318
flat angles C4'-P-C4' energy: -50.564
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1191.465428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.465428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.465428 (E_RNA)
where:
Base-Base interactions energy: -860.804
where: short stacking energy: -348.163
Base-Backbone interact. energy: -1.245
local terms energy: -329.416855
where:
bonds (distance) C4'-P energy: -66.447
bonds (distance) P-C4' energy: -59.518
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -40.531
tors. eta vs tors. theta energy: -92.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1098.560024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.560024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.560024 (E_RNA)
where:
Base-Base interactions energy: -775.220
where: short stacking energy: -328.363
Base-Backbone interact. energy: -0.878
local terms energy: -322.461807
where:
bonds (distance) C4'-P energy: -60.783
bonds (distance) P-C4' energy: -62.389
flat angles C4'-P-C4' energy: -66.017
flat angles P-C4'-P energy: -43.583
tors. eta vs tors. theta energy: -89.691
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: 1
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1073.937637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.937637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.937637 (E_RNA)
where:
Base-Base interactions energy: -735.746
where: short stacking energy: -325.358
Base-Backbone interact. energy: -1.067
local terms energy: -337.124238
where:
bonds (distance) C4'-P energy: -62.367
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -68.109
flat angles P-C4'-P energy: -50.838
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: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1044.576119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.576119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.576119 (E_RNA)
where:
Base-Base interactions energy: -741.124
where: short stacking energy: -315.721
Base-Backbone interact. energy: -1.365
local terms energy: -302.087354
where:
bonds (distance) C4'-P energy: -46.451
bonds (distance) P-C4' energy: -66.448
flat angles C4'-P-C4' energy: -61.810
flat angles P-C4'-P energy: -40.898
tors. eta vs tors. theta energy: -86.481
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: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -969.033408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.033408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.033408 (E_RNA)
where:
Base-Base interactions energy: -677.507
where: short stacking energy: -304.188
Base-Backbone interact. energy: -1.852
local terms energy: -289.674513
where:
bonds (distance) C4'-P energy: -59.108
bonds (distance) P-C4' energy: -49.975
flat angles C4'-P-C4' energy: -50.622
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -87.258
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: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -881.091078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.091078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.091078 (E_RNA)
where:
Base-Base interactions energy: -597.524
where: short stacking energy: -276.675
Base-Backbone interact. energy: -0.169
local terms energy: -283.398114
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -46.276
flat angles C4'-P-C4' energy: -65.767
flat angles P-C4'-P energy: -41.395
tors. eta vs tors. theta energy: -79.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -799.689751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.689751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.689751 (E_RNA)
where:
Base-Base interactions energy: -551.189
where: short stacking energy: -242.687
Base-Backbone interact. energy: 1.255
local terms energy: -249.755620
where:
bonds (distance) C4'-P energy: -51.542
bonds (distance) P-C4' energy: -51.852
flat angles C4'-P-C4' energy: -58.770
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -51.536
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: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -715.971827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.971827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.971827 (E_RNA)
where:
Base-Base interactions energy: -490.365
where: short stacking energy: -241.067
Base-Backbone interact. energy: -1.413
local terms energy: -224.194636
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -47.150
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -38.558
tors. eta vs tors. theta energy: -50.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -551.904127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.904127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.904127 (E_RNA)
where:
Base-Base interactions energy: -342.348
where: short stacking energy: -177.022
Base-Backbone interact. energy: -1.304
local terms energy: -208.251755
where:
bonds (distance) C4'-P energy: -47.201
bonds (distance) P-C4' energy: -49.500
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -38.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -393.062674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.062674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.062674 (E_RNA)
where:
Base-Base interactions energy: -227.972
where: short stacking energy: -110.130
Base-Backbone interact. energy: 1.987
local terms energy: -167.077668
where:
bonds (distance) C4'-P energy: -49.835
bonds (distance) P-C4' energy: -42.468
flat angles C4'-P-C4' energy: -48.643
flat angles P-C4'-P energy: -22.537
tors. eta vs tors. theta energy: -3.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1179.346397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.346397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.346397 (E_RNA)
where:
Base-Base interactions energy: -859.527
where: short stacking energy: -343.749
Base-Backbone interact. energy: -1.880
local terms energy: -317.938744
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -73.312
flat angles P-C4'-P energy: -33.415
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: 6
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1083.331708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.331708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.331708 (E_RNA)
where:
Base-Base interactions energy: -761.312
where: short stacking energy: -310.742
Base-Backbone interact. energy: -2.831
local terms energy: -319.188689
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -72.508
flat angles P-C4'-P energy: -43.641
tors. eta vs tors. theta energy: -86.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1060.848576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.848576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.848576 (E_RNA)
where:
Base-Base interactions energy: -742.260
where: short stacking energy: -316.757
Base-Backbone interact. energy: -1.705
local terms energy: -316.883538
where:
bonds (distance) C4'-P energy: -61.408
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -65.429
flat angles P-C4'-P energy: -38.616
tors. eta vs tors. theta energy: -93.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1027.890400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.890400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.890400 (E_RNA)
where:
Base-Base interactions energy: -735.410
where: short stacking energy: -301.012
Base-Backbone interact. energy: 2.962
local terms energy: -295.441717
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -60.869
flat angles P-C4'-P energy: -40.796
tors. eta vs tors. theta energy: -85.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -961.634748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.634748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.634748 (E_RNA)
where:
Base-Base interactions energy: -652.756
where: short stacking energy: -294.554
Base-Backbone interact. energy: -2.257
local terms energy: -306.621159
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -53.893
flat angles C4'-P-C4' energy: -66.440
flat angles P-C4'-P energy: -46.836
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: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -852.136894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.136894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.136894 (E_RNA)
where:
Base-Base interactions energy: -579.498
where: short stacking energy: -251.270
Base-Backbone interact. energy: -0.431
local terms energy: -272.207825
where:
bonds (distance) C4'-P energy: -56.658
bonds (distance) P-C4' energy: -54.354
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -66.291
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: 500
Temperature: 1.200000
Total energy: -773.679750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.679750 (E_RNA)
where:
Base-Base interactions energy: -503.725
where: short stacking energy: -224.138
Base-Backbone interact. energy: -1.079
local terms energy: -268.875776
where:
bonds (distance) C4'-P energy: -64.009
bonds (distance) P-C4' energy: -56.700
flat angles C4'-P-C4' energy: -56.411
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: -54.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -677.321197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.321197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.321197 (E_RNA)
where:
Base-Base interactions energy: -433.665
where: short stacking energy: -210.444
Base-Backbone interact. energy: -0.367
local terms energy: -243.288817
where:
bonds (distance) C4'-P energy: -47.432
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -56.913
flat angles P-C4'-P energy: -34.265
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: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -585.152781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.152781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.152781 (E_RNA)
where:
Base-Base interactions energy: -348.021
where: short stacking energy: -163.173
Base-Backbone interact. energy: 1.187
local terms energy: -238.319066
where:
bonds (distance) C4'-P energy: -53.435
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -58.529
flat angles P-C4'-P energy: -41.164
tors. eta vs tors. theta energy: -32.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -415.681422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.681422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.681422 (E_RNA)
where:
Base-Base interactions energy: -239.988
where: short stacking energy: -123.013
Base-Backbone interact. energy: -1.557
local terms energy: -174.136566
where:
bonds (distance) C4'-P energy: -47.563
bonds (distance) P-C4' energy: -45.169
flat angles C4'-P-C4' energy: -54.323
flat angles P-C4'-P energy: -25.648
tors. eta vs tors. theta energy: -1.433
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: 3
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1179.679306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.679306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.679306 (E_RNA)
where:
Base-Base interactions energy: -842.363
where: short stacking energy: -333.657
Base-Backbone interact. energy: -1.062
local terms energy: -336.254299
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -75.622
flat angles P-C4'-P energy: -49.501
tors. eta vs tors. theta energy: -92.899
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1080.803275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.803275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.803275 (E_RNA)
where:
Base-Base interactions energy: -754.428
where: short stacking energy: -316.460
Base-Backbone interact. energy: 0.948
local terms energy: -327.323086
where:
bonds (distance) C4'-P energy: -60.311
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -72.936
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -96.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1067.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.081570 (E_RNA)
where:
Base-Base interactions energy: -736.868
where: short stacking energy: -323.270
Base-Backbone interact. energy: -0.664
local terms energy: -329.550080
where:
bonds (distance) C4'-P energy: -58.843
bonds (distance) P-C4' energy: -63.903
flat angles C4'-P-C4' energy: -71.412
flat angles P-C4'-P energy: -35.917
tors. eta vs tors. theta energy: -99.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1036.789836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.789836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.789836 (E_RNA)
where:
Base-Base interactions energy: -728.345
where: short stacking energy: -306.820
Base-Backbone interact. energy: -2.305
local terms energy: -306.139146
where:
bonds (distance) C4'-P energy: -58.812
bonds (distance) P-C4' energy: -49.052
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -42.717
tors. eta vs tors. theta energy: -89.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -969.973633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.973633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.973633 (E_RNA)
where:
Base-Base interactions energy: -671.768
where: short stacking energy: -293.129
Base-Backbone interact. energy: 0.926
local terms energy: -299.132024
where:
bonds (distance) C4'-P energy: -54.818
bonds (distance) P-C4' energy: -46.967
flat angles C4'-P-C4' energy: -67.668
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: -84.720
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: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -884.727247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.727247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.727247 (E_RNA)
where:
Base-Base interactions energy: -602.013
where: short stacking energy: -277.664
Base-Backbone interact. energy: 4.337
local terms energy: -287.050590
where:
bonds (distance) C4'-P energy: -40.774
bonds (distance) P-C4' energy: -56.249
flat angles C4'-P-C4' energy: -65.650
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -77.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -773.188858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.188858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.188858 (E_RNA)
where:
Base-Base interactions energy: -521.919
where: short stacking energy: -227.482
Base-Backbone interact. energy: -1.853
local terms energy: -249.417296
where:
bonds (distance) C4'-P energy: -45.600
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -62.284
flat angles P-C4'-P energy: -34.944
tors. eta vs tors. theta energy: -57.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -657.683970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.683970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.683970 (E_RNA)
where:
Base-Base interactions energy: -411.836
where: short stacking energy: -191.364
Base-Backbone interact. energy: 0.516
local terms energy: -246.363822
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -52.155
flat angles P-C4'-P energy: -37.421
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: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -566.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.300034 (E_RNA)
where:
Base-Base interactions energy: -352.839
where: short stacking energy: -182.889
Base-Backbone interact. energy: -0.717
local terms energy: -212.743747
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -51.165
flat angles C4'-P-C4' energy: -46.235
flat angles P-C4'-P energy: -37.800
tors. eta vs tors. theta energy: -22.462
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: 501
Temperature: 1.350000
Total energy: -363.327608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.327608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.327608 (E_RNA)
where:
Base-Base interactions energy: -192.794
where: short stacking energy: -105.154
Base-Backbone interact. energy: 0.397
local terms energy: -170.930432
where:
bonds (distance) C4'-P energy: -49.339
bonds (distance) P-C4' energy: -56.158
flat angles C4'-P-C4' energy: -39.150
flat angles P-C4'-P energy: -21.103
tors. eta vs tors. theta energy: -5.181
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 41731512
moves confirmed later: 44947918
all moves confirmed: 86679430
percent of confirmed moves: 10.834929
current total energy: -1132.260954
recalc. total energy: -1132.260954
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 44416861
moves confirmed later: 48476973
all moves confirmed: 92893834
percent of confirmed moves: 11.611729
current total energy: -1024.304611
recalc. total energy: -1024.304611
replica 1 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 50180717
moves confirmed later: 56264453
all moves confirmed: 106445170
percent of confirmed moves: 13.305646
current total energy: -989.666953
recalc. total energy: -989.666953
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 47129250
moves confirmed later: 51863597
all moves confirmed: 98992847
percent of confirmed moves: 12.374106
current total energy: -952.110888
recalc. total energy: -952.110888
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 55198705
moves confirmed later: 62634157
all moves confirmed: 117832862
percent of confirmed moves: 14.729108
current total energy: -850.164267
recalc. total energy: -850.164267
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 65407304
moves confirmed later: 76269494
all moves confirmed: 141676798
percent of confirmed moves: 17.709600
current total energy: -772.827269
recalc. total energy: -772.827269
replica 10 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 57079900
moves confirmed later: 65317677
all moves confirmed: 122397577
percent of confirmed moves: 15.299697
current total energy: -670.531132
recalc. total energy: -670.531132
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 83458492
moves confirmed later: 99805965
all moves confirmed: 183264457
percent of confirmed moves: 22.908057
current total energy: -530.227900
recalc. total energy: -530.227900
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 94229968
moves confirmed later: 113512649
all moves confirmed: 207742617
percent of confirmed moves: 25.967827
current total energy: -450.540497
recalc. total energy: -450.540497
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 70690577
moves confirmed later: 82864044
all moves confirmed: 153554621
percent of confirmed moves: 19.194328
current total energy: -260.595741
recalc. total energy: -260.595741
out arg RESULTS//1/GM1655-f4a9025b_01
Time of doing 8000000 iterations: 9613.079 seconds