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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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/7KUC-80c0a440/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/7KUC-80c0a440/inputs/seq.fa: 1
curr_seq: _GGAGGAAGGAGCCUCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGAGGAAGGAGCCUCC
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 16 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: 85
n_atoms_counter: 85
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 16.000000 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: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 1
Temperature: 1.100000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -58.058522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.058522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.058522 (E_RNA)
where:
Base-Base interactions energy: -1.433
where: short stacking energy: -1.433
Base-Backbone interact. energy: -0.000
local terms energy: -56.625006
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -11.748
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -0.685
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -135.540335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.540335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.540335 (E_RNA)
where:
Base-Base interactions energy: -78.907
where: short stacking energy: -45.998
Base-Backbone interact. energy: -0.006
local terms energy: -56.628093
where:
bonds (distance) C4'-P energy: -10.018
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -11.882
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: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -105.427024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.427024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.427024 (E_RNA)
where:
Base-Base interactions energy: -53.141
where: short stacking energy: -53.141
Base-Backbone interact. energy: 0.222
local terms energy: -52.508335
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -182.477012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.477012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.477012 (E_RNA)
where:
Base-Base interactions energy: -129.055
where: short stacking energy: -57.481
Base-Backbone interact. energy: -0.003
local terms energy: -53.418457
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -15.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -85.113824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.113824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.113824 (E_RNA)
where:
Base-Base interactions energy: -43.941
where: short stacking energy: -27.185
Base-Backbone interact. energy: -0.046
local terms energy: -41.126490
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -4.744
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -107.503838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.503838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.503838 (E_RNA)
where:
Base-Base interactions energy: -54.883
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.004
local terms energy: -52.616353
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -11.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -104.357990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.357990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.357990 (E_RNA)
where:
Base-Base interactions energy: -67.737
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.167
local terms energy: -36.454048
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -6.114
flat angles C4'-P-C4' energy: -5.907
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -88.267386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.267386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.267386 (E_RNA)
where:
Base-Base interactions energy: -49.391
where: short stacking energy: -37.373
Base-Backbone interact. energy: 1.194
local terms energy: -40.070010
where:
bonds (distance) C4'-P energy: -2.856
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -9.650
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: 2
Temperature: 1.250000
Total energy: -93.141564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.141564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.141564 (E_RNA)
where:
Base-Base interactions energy: -58.425
where: short stacking energy: -15.412
Base-Backbone interact. energy: -0.283
local terms energy: -34.434148
where:
bonds (distance) C4'-P energy: -9.152
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -3.598
tors. eta vs tors. theta energy: -1.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -65.083906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.083906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.083906 (E_RNA)
where:
Base-Base interactions energy: -26.502
where: short stacking energy: -22.954
Base-Backbone interact. energy: -0.799
local terms energy: -37.782520
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -9.258
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -4.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -73.499754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.499754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.499754 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -29.034
Base-Backbone interact. energy: 1.079
local terms energy: -36.962845
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -8.509
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -150.914487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.914487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.914487 (E_RNA)
where:
Base-Base interactions energy: -90.061
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.028
local terms energy: -60.825495
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -15.699
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -192.027778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.027778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.027778 (E_RNA)
where:
Base-Base interactions energy: -131.470
where: short stacking energy: -62.897
Base-Backbone interact. energy: -0.000
local terms energy: -60.557778
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -112.267734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.267734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.267734 (E_RNA)
where:
Base-Base interactions energy: -54.340
where: short stacking energy: -43.515
Base-Backbone interact. energy: -0.017
local terms energy: -57.910236
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -9.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -95.548679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.548679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.548679 (E_RNA)
where:
Base-Base interactions energy: -42.471
where: short stacking energy: -42.471
Base-Backbone interact. energy: -0.001
local terms energy: -53.076707
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -9.233
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -11.478
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: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -96.368206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.368206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.368206 (E_RNA)
where:
Base-Base interactions energy: -52.770
where: short stacking energy: -29.586
Base-Backbone interact. energy: -0.225
local terms energy: -43.373412
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -10.315
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -99.556492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.556492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.556492 (E_RNA)
where:
Base-Base interactions energy: -57.084
where: short stacking energy: -32.893
Base-Backbone interact. energy: -0.452
local terms energy: -42.020792
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -82.209968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.209968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.209968 (E_RNA)
where:
Base-Base interactions energy: -37.155
where: short stacking energy: -27.792
Base-Backbone interact. energy: -0.049
local terms energy: -45.006328
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -2.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -82.332732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.332732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.332732 (E_RNA)
where:
Base-Base interactions energy: -50.103
where: short stacking energy: -23.124
Base-Backbone interact. energy: -0.213
local terms energy: -32.016503
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: 2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -83.659828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.659828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.659828 (E_RNA)
where:
Base-Base interactions energy: -53.439
where: short stacking energy: -21.795
Base-Backbone interact. energy: -0.436
local terms energy: -29.785428
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -7.301
flat angles C4'-P-C4' energy: -7.436
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: 0.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -72.787619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.787619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.787619 (E_RNA)
where:
Base-Base interactions energy: -32.789
where: short stacking energy: -23.890
Base-Backbone interact. energy: 0.596
local terms energy: -40.594077
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -7.284
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -3.851
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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -197.198231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.198231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.198231 (E_RNA)
where:
Base-Base interactions energy: -133.401
where: short stacking energy: -62.671
Base-Backbone interact. energy: -0.024
local terms energy: -63.773043
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -16.179
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: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -158.169930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.169930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.169930 (E_RNA)
where:
Base-Base interactions energy: -105.822
where: short stacking energy: -46.083
Base-Backbone interact. energy: -0.043
local terms energy: -52.305122
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -184.966975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.966975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.966975 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.163
local terms energy: -57.355677
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -15.880
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: 5
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -99.012147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.012147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.012147 (E_RNA)
where:
Base-Base interactions energy: -45.523
where: short stacking energy: -40.041
Base-Backbone interact. energy: -0.010
local terms energy: -53.478605
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -89.344246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.344246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.344246 (E_RNA)
where:
Base-Base interactions energy: -46.586
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.592
local terms energy: -42.165657
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -2.932
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -128.815253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.815253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.815253 (E_RNA)
where:
Base-Base interactions energy: -75.548
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.137
local terms energy: -53.130195
where:
bonds (distance) C4'-P energy: -9.211
bonds (distance) P-C4' energy: -10.955
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -14.126
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: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -85.241277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.241277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.241277 (E_RNA)
where:
Base-Base interactions energy: -39.921
where: short stacking energy: -23.613
Base-Backbone interact. energy: -0.553
local terms energy: -44.767967
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -97.944975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.944975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.944975 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -43.667
Base-Backbone interact. energy: -0.000
local terms energy: -54.278223
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -5.510
tors. eta vs tors. theta energy: -12.787
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -70.149835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.149835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.149835 (E_RNA)
where:
Base-Base interactions energy: -32.435
where: short stacking energy: -32.435
Base-Backbone interact. energy: -0.087
local terms energy: -37.627543
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -2.598
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -5.601
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: 4
Temperature: 1.350000
Total energy: -73.399068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.399068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.399068 (E_RNA)
where:
Base-Base interactions energy: -29.216
where: short stacking energy: -23.024
Base-Backbone interact. energy: -0.932
local terms energy: -43.250715
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -2.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -189.718053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.718053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.718053 (E_RNA)
where:
Base-Base interactions energy: -131.818
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.002
local terms energy: -57.897337
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -14.142
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: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -186.687765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.687765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.687765 (E_RNA)
where:
Base-Base interactions energy: -128.703
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.281
local terms energy: -57.704273
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -158.657036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.657036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.657036 (E_RNA)
where:
Base-Base interactions energy: -114.775
where: short stacking energy: -47.690
Base-Backbone interact. energy: -0.022
local terms energy: -43.860526
where:
bonds (distance) C4'-P energy: -8.781
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -9.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -108.191724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.191724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.191724 (E_RNA)
where:
Base-Base interactions energy: -64.570
where: short stacking energy: -34.782
Base-Backbone interact. energy: -0.066
local terms energy: -43.555836
where:
bonds (distance) C4'-P energy: -11.177
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -91.557953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.557953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.557953 (E_RNA)
where:
Base-Base interactions energy: -38.171
where: short stacking energy: -38.171
Base-Backbone interact. energy: -0.082
local terms energy: -53.305136
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -139.021687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.021687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.021687 (E_RNA)
where:
Base-Base interactions energy: -86.936
where: short stacking energy: -48.818
Base-Backbone interact. energy: -0.003
local terms energy: -52.083375
where:
bonds (distance) C4'-P energy: -8.144
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -11.397
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: 5
Temperature: 1.200000
Total energy: -105.234834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.234834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.234834 (E_RNA)
where:
Base-Base interactions energy: -62.759
where: short stacking energy: -37.901
Base-Backbone interact. energy: -0.165
local terms energy: -42.311370
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.926
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -5.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -74.277180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.277180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.277180 (E_RNA)
where:
Base-Base interactions energy: -34.103
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.059
local terms energy: -40.115652
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -6.277
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -4.952
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: 5
Temperature: 1.300000
Total energy: -69.473502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.473502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.473502 (E_RNA)
where:
Base-Base interactions energy: -29.073
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.002
local terms energy: -40.398535
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: 0.108
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: 5
Temperature: 1.350000
Total energy: -69.189610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.189610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.189610 (E_RNA)
where:
Base-Base interactions energy: -30.092
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.325
local terms energy: -38.772454
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -2.171
tors. eta vs tors. theta energy: -2.145
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: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -190.726809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.726809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.726809 (E_RNA)
where:
Base-Base interactions energy: -130.943
where: short stacking energy: -51.612
Base-Backbone interact. energy: -0.145
local terms energy: -59.639428
where:
bonds (distance) C4'-P energy: -9.546
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -13.053
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: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -188.500951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.500951 (E_RNA)
where:
Base-Base interactions energy: -123.635
where: short stacking energy: -54.045
Base-Backbone interact. energy: -0.327
local terms energy: -64.538870
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -15.713
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: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -170.341440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.341440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.341440 (E_RNA)
where:
Base-Base interactions energy: -111.803
where: short stacking energy: -52.344
Base-Backbone interact. energy: -0.486
local terms energy: -58.052482
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -110.463712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.463712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.463712 (E_RNA)
where:
Base-Base interactions energy: -72.485
where: short stacking energy: -27.830
Base-Backbone interact. energy: 0.750
local terms energy: -38.727872
where:
bonds (distance) C4'-P energy: -7.659
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -123.211603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.211603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.211603 (E_RNA)
where:
Base-Base interactions energy: -80.084
where: short stacking energy: -41.451
Base-Backbone interact. energy: -0.004
local terms energy: -43.123642
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -5.491
flat angles P-C4'-P energy: -4.875
tors. eta vs tors. theta energy: -8.952
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: 6
Temperature: 1.150000
Total energy: -95.074169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.074169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.074169 (E_RNA)
where:
Base-Base interactions energy: -48.669
where: short stacking energy: -40.917
Base-Backbone interact. energy: -0.001
local terms energy: -46.404414
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -1.191
tors. eta vs tors. theta energy: -8.666
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -80.996868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.996868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.996868 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.130
local terms energy: -45.196514
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -5.308
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -79.059503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.059503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.059503 (E_RNA)
where:
Base-Base interactions energy: -44.589
where: short stacking energy: -28.362
Base-Backbone interact. energy: -0.485
local terms energy: -33.985479
where:
bonds (distance) C4'-P energy: -8.427
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -7.019
flat angles P-C4'-P energy: -3.608
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -77.380151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.380151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.380151 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -32.665
Base-Backbone interact. energy: -0.052
local terms energy: -40.238622
where:
bonds (distance) C4'-P energy: -9.287
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -3.502
tors. eta vs tors. theta energy: -7.212
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: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -69.078670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.078670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.078670 (E_RNA)
where:
Base-Base interactions energy: -27.393
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.023
local terms energy: -41.662186
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -6.159
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -192.604142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.604142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.604142 (E_RNA)
where:
Base-Base interactions energy: -128.953
where: short stacking energy: -51.651
Base-Backbone interact. energy: -1.013
local terms energy: -62.638096
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -186.204930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.204930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.204930 (E_RNA)
where:
Base-Base interactions energy: -127.145
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.001
local terms energy: -59.058887
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -10.325
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -160.315928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.315928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.315928 (E_RNA)
where:
Base-Base interactions energy: -107.385
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.139
local terms energy: -52.791522
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -151.967958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.967958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.967958 (E_RNA)
where:
Base-Base interactions energy: -96.415
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.065
local terms energy: -55.487775
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -2.425
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -114.746046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.746046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.746046 (E_RNA)
where:
Base-Base interactions energy: -65.542
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.001
local terms energy: -49.202507
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -8.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -80.032375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.032375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.032375 (E_RNA)
where:
Base-Base interactions energy: -34.593
where: short stacking energy: -33.920
Base-Backbone interact. energy: -0.035
local terms energy: -45.404119
where:
bonds (distance) C4'-P energy: -12.755
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -9.080
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -5.636
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -102.791150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.791150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.791150 (E_RNA)
where:
Base-Base interactions energy: -56.149
where: short stacking energy: -25.626
Base-Backbone interact. energy: -0.438
local terms energy: -46.204307
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -114.516025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.516025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.516025 (E_RNA)
where:
Base-Base interactions energy: -75.410
where: short stacking energy: -38.638
Base-Backbone interact. energy: -0.266
local terms energy: -38.840126
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -10.457
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -1.480
tors. eta vs tors. theta energy: -6.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -76.306530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.306530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.306530 (E_RNA)
where:
Base-Base interactions energy: -37.715
where: short stacking energy: -19.122
Base-Backbone interact. energy: -0.169
local terms energy: -38.422466
where:
bonds (distance) C4'-P energy: -4.631
bonds (distance) P-C4' energy: -10.434
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -63.250701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.250701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.250701 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -18.959
Base-Backbone interact. energy: -0.099
local terms energy: -30.889336
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -9.565
flat angles P-C4'-P energy: 3.790
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -191.691117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.691117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.691117 (E_RNA)
where:
Base-Base interactions energy: -132.256
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.003
local terms energy: -59.432642
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -16.097
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -187.199017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.199017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.199017 (E_RNA)
where:
Base-Base interactions energy: -132.685
where: short stacking energy: -54.337
Base-Backbone interact. energy: -0.120
local terms energy: -54.394500
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -13.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -165.934440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.934440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.934440 (E_RNA)
where:
Base-Base interactions energy: -107.052
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.734
local terms energy: -58.147891
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -155.779523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.779523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.779523 (E_RNA)
where:
Base-Base interactions energy: -103.511
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.115
local terms energy: -52.153675
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -9.458
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -11.105
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -105.434476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.434476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.434476 (E_RNA)
where:
Base-Base interactions energy: -64.420
where: short stacking energy: -27.577
Base-Backbone interact. energy: -0.725
local terms energy: -40.289700
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -9.951
flat angles C4'-P-C4' energy: -9.840
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -74.456057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.456057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.456057 (E_RNA)
where:
Base-Base interactions energy: -30.848
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.011
local terms energy: -43.597192
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -9.510
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -5.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -112.000755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.000755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.000755 (E_RNA)
where:
Base-Base interactions energy: -64.777
where: short stacking energy: -34.273
Base-Backbone interact. energy: -0.185
local terms energy: -47.038810
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -10.795
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -9.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -84.003394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.003394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.003394 (E_RNA)
where:
Base-Base interactions energy: -42.998
where: short stacking energy: -19.231
Base-Backbone interact. energy: -0.176
local terms energy: -40.829167
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -75.625421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.625421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.625421 (E_RNA)
where:
Base-Base interactions energy: -30.011
where: short stacking energy: -17.220
Base-Backbone interact. energy: -0.019
local terms energy: -45.595119
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -1.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -59.194496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.194496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.194496 (E_RNA)
where:
Base-Base interactions energy: -24.814
where: short stacking energy: -22.416
Base-Backbone interact. energy: -0.016
local terms energy: -34.364356
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -3.126
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -194.303962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.303962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.303962 (E_RNA)
where:
Base-Base interactions energy: -133.021
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.008
local terms energy: -61.274136
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -13.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -190.952033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.952033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.952033 (E_RNA)
where:
Base-Base interactions energy: -131.826
where: short stacking energy: -53.875
Base-Backbone interact. energy: 0.793
local terms energy: -59.918907
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -15.104
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: 9
Temperature: 1.000000
Total energy: -171.072517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.072517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.072517 (E_RNA)
where:
Base-Base interactions energy: -113.714
where: short stacking energy: -50.620
Base-Backbone interact. energy: -0.004
local terms energy: -57.354648
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -144.642553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.642553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.642553 (E_RNA)
where:
Base-Base interactions energy: -98.333
where: short stacking energy: -50.787
Base-Backbone interact. energy: 0.724
local terms energy: -47.033120
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -8.405
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: 5, replica: 6
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -160.157340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.157340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.157340 (E_RNA)
where:
Base-Base interactions energy: -111.359
where: short stacking energy: -43.109
Base-Backbone interact. energy: -0.333
local terms energy: -48.465538
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: -8.707
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: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -148.417567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.417567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.417567 (E_RNA)
where:
Base-Base interactions energy: -89.627
where: short stacking energy: -56.391
Base-Backbone interact. energy: 1.186
local terms energy: -59.975790
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -14.137
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: 9
Temperature: 1.200000
Total energy: -74.492782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.492782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.492782 (E_RNA)
where:
Base-Base interactions energy: -30.060
where: short stacking energy: -30.060
Base-Backbone interact. energy: -0.051
local terms energy: -44.382448
where:
bonds (distance) C4'-P energy: -6.640
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -72.866836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.866836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.866836 (E_RNA)
where:
Base-Base interactions energy: -33.413
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.047
local terms energy: -39.406385
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -8.608
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -3.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -66.192880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.192880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.192880 (E_RNA)
where:
Base-Base interactions energy: -18.196
where: short stacking energy: -18.196
Base-Backbone interact. energy: -0.168
local terms energy: -47.828327
where:
bonds (distance) C4'-P energy: -7.751
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -5.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -65.729296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.729296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.729296 (E_RNA)
where:
Base-Base interactions energy: -24.472
where: short stacking energy: -24.472
Base-Backbone interact. energy: -0.291
local terms energy: -40.966398
where:
bonds (distance) C4'-P energy: -7.364
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -197.522676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.522676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.522676 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -63.935
Base-Backbone interact. energy: -0.003
local terms energy: -64.631760
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -18.220
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: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -187.683632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.683632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.683632 (E_RNA)
where:
Base-Base interactions energy: -128.780
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.005
local terms energy: -58.899005
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -9.743
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -167.959740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959740 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -46.369
Base-Backbone interact. energy: -1.353
local terms energy: -54.856424
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -131.360258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.360258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.360258 (E_RNA)
where:
Base-Base interactions energy: -86.842
where: short stacking energy: -48.926
Base-Backbone interact. energy: -0.045
local terms energy: -44.473887
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -6.468
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: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -182.139628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.139628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.139628 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.584
local terms energy: -49.596536
where:
bonds (distance) C4'-P energy: -7.988
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -137.958290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.958290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.958290 (E_RNA)
where:
Base-Base interactions energy: -83.706
where: short stacking energy: -52.489
Base-Backbone interact. energy: -0.017
local terms energy: -54.234662
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -77.668099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.668099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.668099 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -27.733
Base-Backbone interact. energy: -0.025
local terms energy: -46.002935
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -12.596
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -68.745210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.745210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.745210 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.450
local terms energy: -43.086299
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -10.626
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -65.234815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.234815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.234815 (E_RNA)
where:
Base-Base interactions energy: -27.160
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.103
local terms energy: -37.971114
where:
bonds (distance) C4'-P energy: -7.841
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -1.135
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: 10
Temperature: 1.350000
Total energy: -71.881341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.881341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.881341 (E_RNA)
where:
Base-Base interactions energy: -45.808
where: short stacking energy: -26.087
Base-Backbone interact. energy: 0.249
local terms energy: -26.322392
where:
bonds (distance) C4'-P energy: -5.024
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -5.173
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -189.620677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.620677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.620677 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.003
local terms energy: -62.681879
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -17.714
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -170.000293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.000293 (E_RNA)
where:
Base-Base interactions energy: -116.950
where: short stacking energy: -52.377
Base-Backbone interact. energy: -1.313
local terms energy: -51.736894
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -189.283779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283779 (E_RNA)
where:
Base-Base interactions energy: -127.689
where: short stacking energy: -57.994
Base-Backbone interact. energy: -0.581
local terms energy: -61.013404
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -184.664540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.664540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.664540 (E_RNA)
where:
Base-Base interactions energy: -132.777
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.075
local terms energy: -51.812092
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -11.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -133.111757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.111757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.111757 (E_RNA)
where:
Base-Base interactions energy: -85.574
where: short stacking energy: -46.959
Base-Backbone interact. energy: -0.131
local terms energy: -47.407084
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -129.709792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.709792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.709792 (E_RNA)
where:
Base-Base interactions energy: -75.076
where: short stacking energy: -42.823
Base-Backbone interact. energy: -0.141
local terms energy: -54.493329
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -178.644747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.644747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.644747 (E_RNA)
where:
Base-Base interactions energy: -125.218
where: short stacking energy: -45.842
Base-Backbone interact. energy: -0.454
local terms energy: -52.972740
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.280
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: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -65.250450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.250450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.250450 (E_RNA)
where:
Base-Base interactions energy: -23.209
where: short stacking energy: -20.885
Base-Backbone interact. energy: -0.013
local terms energy: -42.028296
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -6.608
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -69.957042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.957042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.957042 (E_RNA)
where:
Base-Base interactions energy: -25.870
where: short stacking energy: -25.072
Base-Backbone interact. energy: -0.616
local terms energy: -43.471135
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -84.461026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.461026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.461026 (E_RNA)
where:
Base-Base interactions energy: -51.348
where: short stacking energy: -19.916
Base-Backbone interact. energy: -0.105
local terms energy: -33.007486
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -4.940
flat angles P-C4'-P energy: 0.015
tors. eta vs tors. theta energy: -5.058
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: 12
Temperature: 0.900000
Total energy: -181.743110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.743110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.743110 (E_RNA)
where:
Base-Base interactions energy: -124.852
where: short stacking energy: -50.446
Base-Backbone interact. energy: -0.946
local terms energy: -55.945280
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -195.112869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.112869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.112869 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.219
local terms energy: -64.695942
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -188.890444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.890444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.890444 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -52.171
Base-Backbone interact. energy: -0.152
local terms energy: -58.181465
where:
bonds (distance) C4'-P energy: -10.474
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -177.705610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.705610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.705610 (E_RNA)
where:
Base-Base interactions energy: -121.096
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.614
local terms energy: -55.995060
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -11.007
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: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -130.158124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.158124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.158124 (E_RNA)
where:
Base-Base interactions energy: -79.941
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.096
local terms energy: -50.121230
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -9.535
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: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -137.628650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.628650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.628650 (E_RNA)
where:
Base-Base interactions energy: -82.375
where: short stacking energy: -48.981
Base-Backbone interact. energy: -0.690
local terms energy: -54.563027
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -14.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -174.597232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.597232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.597232 (E_RNA)
where:
Base-Base interactions energy: -118.688
where: short stacking energy: -53.339
Base-Backbone interact. energy: -0.013
local terms energy: -55.896592
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -66.382596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.382596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.382596 (E_RNA)
where:
Base-Base interactions energy: -29.912
where: short stacking energy: -29.912
Base-Backbone interact. energy: -0.055
local terms energy: -36.414676
where:
bonds (distance) C4'-P energy: -5.643
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -2.371
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: 12
Temperature: 1.300000
Total energy: -68.523193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.523193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.523193 (E_RNA)
where:
Base-Base interactions energy: -27.641
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.079
local terms energy: -40.802784
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -1.212
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -101.875882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.875882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.875882 (E_RNA)
where:
Base-Base interactions energy: -73.719
where: short stacking energy: -39.918
Base-Backbone interact. energy: -0.553
local terms energy: -27.603264
where:
bonds (distance) C4'-P energy: -4.599
bonds (distance) P-C4' energy: -8.669
flat angles C4'-P-C4' energy: -5.317
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -175.885094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.885094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.885094 (E_RNA)
where:
Base-Base interactions energy: -126.275
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.300
local terms energy: -49.310762
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -189.065328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.065328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.065328 (E_RNA)
where:
Base-Base interactions energy: -131.008
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.170
local terms energy: -57.886927
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -14.770
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: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -178.369848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.369848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.369848 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -55.192
Base-Backbone interact. energy: -0.305
local terms energy: -55.921252
where:
bonds (distance) C4'-P energy: -3.540
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.147
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: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -181.201496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.201496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.201496 (E_RNA)
where:
Base-Base interactions energy: -123.619
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.212
local terms energy: -57.371246
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -15.797
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: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -135.158183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.158183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.158183 (E_RNA)
where:
Base-Base interactions energy: -85.584
where: short stacking energy: -49.607
Base-Backbone interact. energy: -0.019
local terms energy: -49.555864
where:
bonds (distance) C4'-P energy: -6.649
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -15.283
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: 13
Temperature: 1.150000
Total energy: -180.670107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.670107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.670107 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.016
local terms energy: -56.506517
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -110.147213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.147213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.147213 (E_RNA)
where:
Base-Base interactions energy: -66.729
where: short stacking energy: -35.611
Base-Backbone interact. energy: -0.306
local terms energy: -43.112672
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -9.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -82.266964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266964 (E_RNA)
where:
Base-Base interactions energy: -48.025
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.244
local terms energy: -33.997723
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -5.973
flat angles C4'-P-C4' energy: -7.801
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.373568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.373568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.373568 (E_RNA)
where:
Base-Base interactions energy: -59.220
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.062
local terms energy: -39.091664
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -62.421958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.421958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.421958 (E_RNA)
where:
Base-Base interactions energy: -24.296
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.105
local terms energy: -38.021101
where:
bonds (distance) C4'-P energy: -6.735
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -5.308
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -191.890464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.890464 (E_RNA)
where:
Base-Base interactions energy: -133.165
where: short stacking energy: -56.301
Base-Backbone interact. energy: -0.016
local terms energy: -58.708856
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -13.169
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: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -165.810050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.810050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.810050 (E_RNA)
where:
Base-Base interactions energy: -106.488
where: short stacking energy: -44.960
Base-Backbone interact. energy: -1.066
local terms energy: -58.255962
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.706
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: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -188.492650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.492650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.492650 (E_RNA)
where:
Base-Base interactions energy: -127.885
where: short stacking energy: -58.669
Base-Backbone interact. energy: -0.030
local terms energy: -60.577723
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -185.174714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.174714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.174714 (E_RNA)
where:
Base-Base interactions energy: -130.814
where: short stacking energy: -54.386
Base-Backbone interact. energy: -0.423
local terms energy: -53.937753
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -12.278
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -189.567314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.567314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.567314 (E_RNA)
where:
Base-Base interactions energy: -132.491
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.001
local terms energy: -57.074594
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -8.167
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.711
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: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -123.128390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.128390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.128390 (E_RNA)
where:
Base-Base interactions energy: -78.183
where: short stacking energy: -39.612
Base-Backbone interact. energy: -0.131
local terms energy: -44.814528
where:
bonds (distance) C4'-P energy: -8.317
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -117.916977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.916977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.916977 (E_RNA)
where:
Base-Base interactions energy: -70.637
where: short stacking energy: -40.361
Base-Backbone interact. energy: -0.146
local terms energy: -47.134618
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -6.368
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: -11.324
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: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -98.768138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.768138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.768138 (E_RNA)
where:
Base-Base interactions energy: -54.567
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.075
local terms energy: -44.125790
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -75.541370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.541370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.541370 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -31.812
Base-Backbone interact. energy: -0.011
local terms energy: -39.849438
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -8.303
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -6.759
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -67.326799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.326799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.326799 (E_RNA)
where:
Base-Base interactions energy: -28.551
where: short stacking energy: -28.551
Base-Backbone interact. energy: -0.022
local terms energy: -38.753931
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -7.882
flat angles P-C4'-P energy: -4.927
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: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -192.905433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.905433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.905433 (E_RNA)
where:
Base-Base interactions energy: -131.283
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.617
local terms energy: -61.004859
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -9.448
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: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -192.934142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.934142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.934142 (E_RNA)
where:
Base-Base interactions energy: -133.182
where: short stacking energy: -58.594
Base-Backbone interact. energy: -0.157
local terms energy: -59.595078
where:
bonds (distance) C4'-P energy: -10.365
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -14.104
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: 15
Temperature: 1.000000
Total energy: -163.395286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.395286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.395286 (E_RNA)
where:
Base-Base interactions energy: -105.952
where: short stacking energy: -51.282
Base-Backbone interact. energy: -0.096
local terms energy: -57.347508
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -12.461
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: 5
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -189.364780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.364780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.364780 (E_RNA)
where:
Base-Base interactions energy: -129.978
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.000
local terms energy: -59.386546
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -16.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -180.694412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.694412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.694412 (E_RNA)
where:
Base-Base interactions energy: -130.144
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.475
local terms energy: -50.074696
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -9.903
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: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -124.681238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.681238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.681238 (E_RNA)
where:
Base-Base interactions energy: -74.790
where: short stacking energy: -44.566
Base-Backbone interact. energy: -0.088
local terms energy: -49.803358
where:
bonds (distance) C4'-P energy: -7.479
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -10.536
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: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -126.074469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.074469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.074469 (E_RNA)
where:
Base-Base interactions energy: -84.016
where: short stacking energy: -47.062
Base-Backbone interact. energy: -0.552
local terms energy: -41.506346
where:
bonds (distance) C4'-P energy: -5.825
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -82.264061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.264061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.264061 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -41.309
Base-Backbone interact. energy: -0.005
local terms energy: -40.949492
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -1.124
tors. eta vs tors. theta energy: -7.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -76.385149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385149 (E_RNA)
where:
Base-Base interactions energy: -39.215
where: short stacking energy: -25.564
Base-Backbone interact. energy: 0.050
local terms energy: -37.220135
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -6.484
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -3.545
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: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -64.326707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.326707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.326707 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -31.673
Base-Backbone interact. energy: -0.002
local terms energy: -32.651879
where:
bonds (distance) C4'-P energy: -5.253
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -6.239
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -1.470
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: 16
Temperature: 0.900000
Total energy: -196.935093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.935093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.935093 (E_RNA)
where:
Base-Base interactions energy: -137.353
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.032
local terms energy: -59.550011
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -193.282982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.282982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.282982 (E_RNA)
where:
Base-Base interactions energy: -135.098
where: short stacking energy: -54.109
Base-Backbone interact. energy: -0.321
local terms energy: -57.864095
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -12.654
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: 5
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -178.903209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.903209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.903209 (E_RNA)
where:
Base-Base interactions energy: -127.749
where: short stacking energy: -52.082
Base-Backbone interact. energy: -0.149
local terms energy: -51.005485
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -10.319
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -13.831
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: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -159.868197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.868197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.868197 (E_RNA)
where:
Base-Base interactions energy: -116.448
where: short stacking energy: -49.885
Base-Backbone interact. energy: -0.273
local terms energy: -43.146911
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -6.599
flat angles P-C4'-P energy: -3.772
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -185.116778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.116778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.116778 (E_RNA)
where:
Base-Base interactions energy: -129.156
where: short stacking energy: -51.829
Base-Backbone interact. energy: -0.090
local terms energy: -55.870753
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -12.015
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: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -132.958959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.958959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.958959 (E_RNA)
where:
Base-Base interactions energy: -81.717
where: short stacking energy: -52.238
Base-Backbone interact. energy: 0.023
local terms energy: -51.265413
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -8.832
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.291
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: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -114.298560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.298560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.298560 (E_RNA)
where:
Base-Base interactions energy: -68.251
where: short stacking energy: -33.332
Base-Backbone interact. energy: -0.007
local terms energy: -46.040180
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -81.350904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.350904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.350904 (E_RNA)
where:
Base-Base interactions energy: -48.490
where: short stacking energy: -28.221
Base-Backbone interact. energy: -0.238
local terms energy: -32.622953
where:
bonds (distance) C4'-P energy: -6.455
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -7.417
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -2.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -59.778576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.778576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.778576 (E_RNA)
where:
Base-Base interactions energy: -25.684
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.023
local terms energy: -34.070766
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -7.224
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -70.056559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.056559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.056559 (E_RNA)
where:
Base-Base interactions energy: -38.610
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.195
local terms energy: -31.252137
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -7.210
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: 2.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -192.180846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.180846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180846 (E_RNA)
where:
Base-Base interactions energy: -128.542
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.017
local terms energy: -63.621700
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -191.193192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.193192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.193192 (E_RNA)
where:
Base-Base interactions energy: -133.279
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.766
local terms energy: -57.148650
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -8.605
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -13.348
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: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -187.793957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.793957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.793957 (E_RNA)
where:
Base-Base interactions energy: -125.615
where: short stacking energy: -62.258
Base-Backbone interact. energy: -0.029
local terms energy: -62.150243
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -187.209257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.209257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.209257 (E_RNA)
where:
Base-Base interactions energy: -131.511
where: short stacking energy: -48.374
Base-Backbone interact. energy: -0.147
local terms energy: -55.551145
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -11.801
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -11.035
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -152.136228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.136228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.136228 (E_RNA)
where:
Base-Base interactions energy: -99.447
where: short stacking energy: -37.642
Base-Backbone interact. energy: -0.861
local terms energy: -51.827661
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -9.896
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: 6, replica: 4
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -123.770487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.770487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.770487 (E_RNA)
where:
Base-Base interactions energy: -72.826
where: short stacking energy: -39.708
Base-Backbone interact. energy: -0.019
local terms energy: -50.925455
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -13.801
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: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -116.621977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.621977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.621977 (E_RNA)
where:
Base-Base interactions energy: -66.772
where: short stacking energy: -37.945
Base-Backbone interact. energy: -0.889
local terms energy: -48.960802
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -77.558301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.558301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.558301 (E_RNA)
where:
Base-Base interactions energy: -39.656
where: short stacking energy: -27.923
Base-Backbone interact. energy: -0.123
local terms energy: -37.779548
where:
bonds (distance) C4'-P energy: -5.362
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -2.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -69.951380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.951380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.951380 (E_RNA)
where:
Base-Base interactions energy: -26.300
where: short stacking energy: -24.802
Base-Backbone interact. energy: -0.143
local terms energy: -43.509104
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.187
flat angles C4'-P-C4' energy: -7.536
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -4.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -62.139094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.139094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.139094 (E_RNA)
where:
Base-Base interactions energy: -21.534
where: short stacking energy: -12.982
Base-Backbone interact. energy: -0.239
local terms energy: -40.366065
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -194.915847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.915847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.915847 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.423
local terms energy: -58.750262
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -10.635
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.362
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: 18
Temperature: 0.950000
Total energy: -194.255313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.255313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.255313 (E_RNA)
where:
Base-Base interactions energy: -135.601
where: short stacking energy: -61.885
Base-Backbone interact. energy: -0.006
local terms energy: -58.648085
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -190.811884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.811884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.811884 (E_RNA)
where:
Base-Base interactions energy: -130.257
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.012
local terms energy: -60.542612
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -14.927
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: 18
Temperature: 1.050000
Total energy: -183.824706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.824706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.824706 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -55.439
Base-Backbone interact. energy: -0.259
local terms energy: -59.790558
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -10.891
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -14.105
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: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -157.771189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.771189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.771189 (E_RNA)
where:
Base-Base interactions energy: -107.257
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.018
local terms energy: -50.496280
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -11.344
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: 4
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -114.358335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.358335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.358335 (E_RNA)
where:
Base-Base interactions energy: -73.173
where: short stacking energy: -38.392
Base-Backbone interact. energy: -0.014
local terms energy: -41.170952
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -1.272
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -116.094618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.094618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.094618 (E_RNA)
where:
Base-Base interactions energy: -70.463
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.273
local terms energy: -45.358213
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -8.997
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -8.142
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: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -74.622504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.622504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.622504 (E_RNA)
where:
Base-Base interactions energy: -36.495
where: short stacking energy: -23.602
Base-Backbone interact. energy: -0.056
local terms energy: -38.072003
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: 0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -64.459677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.459677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.459677 (E_RNA)
where:
Base-Base interactions energy: -28.958
where: short stacking energy: -16.018
Base-Backbone interact. energy: -0.611
local terms energy: -34.891206
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: 3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -69.411265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.411265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.411265 (E_RNA)
where:
Base-Base interactions energy: -35.353
where: short stacking energy: -29.699
Base-Backbone interact. energy: 0.565
local terms energy: -34.623178
where:
bonds (distance) C4'-P energy: -2.124
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -9.011
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -199.459065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.459065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.459065 (E_RNA)
where:
Base-Base interactions energy: -140.167
where: short stacking energy: -58.748
Base-Backbone interact. energy: -0.139
local terms energy: -59.153184
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -196.950492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.950492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.950492 (E_RNA)
where:
Base-Base interactions energy: -133.413
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.022
local terms energy: -63.515686
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -187.685458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.685458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.685458 (E_RNA)
where:
Base-Base interactions energy: -127.702
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.008
local terms energy: -59.975811
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -186.891525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.891525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.891525 (E_RNA)
where:
Base-Base interactions energy: -129.464
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.001
local terms energy: -57.426153
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -154.250033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.250033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.250033 (E_RNA)
where:
Base-Base interactions energy: -101.087
where: short stacking energy: -44.245
Base-Backbone interact. energy: -0.001
local terms energy: -53.162620
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -11.019
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: 6, replica: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -130.330120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.330120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.330120 (E_RNA)
where:
Base-Base interactions energy: -75.621
where: short stacking energy: -40.032
Base-Backbone interact. energy: -0.918
local terms energy: -53.790981
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -6.097
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -114.489763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.489763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.489763 (E_RNA)
where:
Base-Base interactions energy: -66.932
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.181
local terms energy: -47.377542
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -5.621
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: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -80.024176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.024176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.024176 (E_RNA)
where:
Base-Base interactions energy: -46.492
where: short stacking energy: -24.406
Base-Backbone interact. energy: -1.838
local terms energy: -31.694737
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -7.399
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -69.823744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.823744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.823744 (E_RNA)
where:
Base-Base interactions energy: -35.109
where: short stacking energy: -22.186
Base-Backbone interact. energy: 0.473
local terms energy: -35.188052
where:
bonds (distance) C4'-P energy: -3.349
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -73.398613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.398613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.398613 (E_RNA)
where:
Base-Base interactions energy: -28.576
where: short stacking energy: -25.933
Base-Backbone interact. energy: -0.088
local terms energy: -44.733969
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -191.427076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.427076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.427076 (E_RNA)
where:
Base-Base interactions energy: -134.645
where: short stacking energy: -54.509
Base-Backbone interact. energy: -0.073
local terms energy: -56.709002
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.506
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: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -192.702567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.702567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.702567 (E_RNA)
where:
Base-Base interactions energy: -130.120
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.004
local terms energy: -62.578339
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -15.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -186.583822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.583822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.583822 (E_RNA)
where:
Base-Base interactions energy: -131.686
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.045
local terms energy: -54.852535
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.329
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -12.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -183.077875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.077875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.077875 (E_RNA)
where:
Base-Base interactions energy: -125.311
where: short stacking energy: -60.043
Base-Backbone interact. energy: -0.005
local terms energy: -57.762270
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -7.487
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.267
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: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -160.638704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.638704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.638704 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -49.139
Base-Backbone interact. energy: -0.012
local terms energy: -49.366477
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -8.165
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: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -133.919299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.919299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.919299 (E_RNA)
where:
Base-Base interactions energy: -91.777
where: short stacking energy: -42.711
Base-Backbone interact. energy: -0.272
local terms energy: -41.869768
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -3.923
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: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -115.177204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.177204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.177204 (E_RNA)
where:
Base-Base interactions energy: -72.721
where: short stacking energy: -37.421
Base-Backbone interact. energy: -0.001
local terms energy: -42.454778
where:
bonds (distance) C4'-P energy: -6.264
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -72.963875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.963875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.963875 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -27.034
Base-Backbone interact. energy: -0.000
local terms energy: -45.929848
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -6.713
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: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -79.634254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.634254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.634254 (E_RNA)
where:
Base-Base interactions energy: -37.910
where: short stacking energy: -19.900
Base-Backbone interact. energy: -0.150
local terms energy: -41.574046
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -0.305
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: 20
Temperature: 1.350000
Total energy: -75.961457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.961457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.961457 (E_RNA)
where:
Base-Base interactions energy: -32.278
where: short stacking energy: -32.178
Base-Backbone interact. energy: -0.048
local terms energy: -43.635776
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.231
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -4.705
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: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -192.998378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.998378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.998378 (E_RNA)
where:
Base-Base interactions energy: -133.536
where: short stacking energy: -55.642
Base-Backbone interact. energy: -0.085
local terms energy: -59.377610
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -7.320
tors. eta vs tors. theta energy: -13.933
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -191.341134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.341134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.341134 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -59.893
Base-Backbone interact. energy: -0.000
local terms energy: -60.341102
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -15.844
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: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -184.639785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.639785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.639785 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -51.012
Base-Backbone interact. energy: -0.187
local terms energy: -52.520883
where:
bonds (distance) C4'-P energy: -5.145
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -11.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -160.986597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.986597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.986597 (E_RNA)
where:
Base-Base interactions energy: -115.173
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.003
local terms energy: -45.810397
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -6.601
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -185.487314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.487314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.487314 (E_RNA)
where:
Base-Base interactions energy: -130.759
where: short stacking energy: -60.777
Base-Backbone interact. energy: -0.588
local terms energy: -54.140159
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -119.030381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.030381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.030381 (E_RNA)
where:
Base-Base interactions energy: -69.543
where: short stacking energy: -23.982
Base-Backbone interact. energy: -0.568
local terms energy: -48.918823
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -114.578399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.578399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.578399 (E_RNA)
where:
Base-Base interactions energy: -69.821
where: short stacking energy: -33.047
Base-Backbone interact. energy: 0.538
local terms energy: -45.295905
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -9.349
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -73.966606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.966606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.966606 (E_RNA)
where:
Base-Base interactions energy: -34.996
where: short stacking energy: -27.049
Base-Backbone interact. energy: -0.355
local terms energy: -38.615705
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -2.822
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: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -72.039105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.039105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.039105 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -32.472
Base-Backbone interact. energy: -0.029
local terms energy: -37.909631
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -5.341
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: 7
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -70.184552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.184552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.184552 (E_RNA)
where:
Base-Base interactions energy: -25.404
where: short stacking energy: -10.969
Base-Backbone interact. energy: -0.185
local terms energy: -44.595388
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -5.503
tors. eta vs tors. theta energy: -3.297
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: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -192.090329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.090329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.090329 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.285
local terms energy: -61.135611
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -11.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -194.466086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.466086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.466086 (E_RNA)
where:
Base-Base interactions energy: -131.586
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.012
local terms energy: -62.868377
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -182.511861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.511861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.511861 (E_RNA)
where:
Base-Base interactions energy: -131.167
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.236
local terms energy: -51.108943
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -9.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -156.060884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.060884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.060884 (E_RNA)
where:
Base-Base interactions energy: -107.521
where: short stacking energy: -42.697
Base-Backbone interact. energy: -0.024
local terms energy: -48.514980
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -4.360
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -187.122731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.122731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.122731 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -60.425
Base-Backbone interact. energy: -0.112
local terms energy: -59.946487
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -12.593
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -153.768054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.768054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.768054 (E_RNA)
where:
Base-Base interactions energy: -98.760
where: short stacking energy: -36.786
Base-Backbone interact. energy: -0.007
local terms energy: -55.001145
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -12.101
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: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -89.429434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.429434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.429434 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.708
local terms energy: -43.859859
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -4.581
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: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -101.233840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.233840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.233840 (E_RNA)
where:
Base-Base interactions energy: -55.719
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.140
local terms energy: -45.374728
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -3.269
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: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -65.078021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.078021 (E_RNA)
where:
Base-Base interactions energy: -24.409
where: short stacking energy: -20.279
Base-Backbone interact. energy: -0.099
local terms energy: -40.570338
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -6.727
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -63.040443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.040443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.040443 (E_RNA)
where:
Base-Base interactions energy: -25.278
where: short stacking energy: -21.126
Base-Backbone interact. energy: -0.317
local terms energy: -37.445864
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -6.592
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -3.670
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: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -194.293001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293001 (E_RNA)
where:
Base-Base interactions energy: -137.133
where: short stacking energy: -54.748
Base-Backbone interact. energy: -0.301
local terms energy: -56.859179
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -11.998
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: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -184.717336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717336 (E_RNA)
where:
Base-Base interactions energy: -126.814
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.104
local terms energy: -57.799604
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -9.972
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: 23
Temperature: 1.000000
Total energy: -189.917473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.917473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.917473 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.001
local terms energy: -59.489960
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -192.418094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.418094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.418094 (E_RNA)
where:
Base-Base interactions energy: -131.622
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.005
local terms energy: -60.790810
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -162.399290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.399290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.399290 (E_RNA)
where:
Base-Base interactions energy: -106.030
where: short stacking energy: -43.208
Base-Backbone interact. energy: -1.228
local terms energy: -55.141273
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -10.961
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: 4
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -152.449876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.449876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.449876 (E_RNA)
where:
Base-Base interactions energy: -114.542
where: short stacking energy: -41.478
Base-Backbone interact. energy: -0.159
local terms energy: -37.749252
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: -7.810
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: 23
Temperature: 1.200000
Total energy: -71.760260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.760260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.760260 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.047
local terms energy: -37.243627
where:
bonds (distance) C4'-P energy: -6.019
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -107.566525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.566525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.566525 (E_RNA)
where:
Base-Base interactions energy: -68.714
where: short stacking energy: -31.849
Base-Backbone interact. energy: -0.443
local terms energy: -38.409886
where:
bonds (distance) C4'-P energy: -8.060
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -6.559
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -6.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -77.661641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.661641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.661641 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.009
local terms energy: -44.167811
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -5.525
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -77.097649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.097649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.097649 (E_RNA)
where:
Base-Base interactions energy: -39.892
where: short stacking energy: -37.849
Base-Backbone interact. energy: 0.447
local terms energy: -37.652880
where:
bonds (distance) C4'-P energy: -6.914
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -2.085
tors. eta vs tors. theta energy: -8.211
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: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -194.158553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158553 (E_RNA)
where:
Base-Base interactions energy: -132.430
where: short stacking energy: -51.985
Base-Backbone interact. energy: -0.773
local terms energy: -60.955447
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -14.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -187.567297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.567297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.567297 (E_RNA)
where:
Base-Base interactions energy: -128.271
where: short stacking energy: -53.996
Base-Backbone interact. energy: -0.396
local terms energy: -58.900455
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.236
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: 24
Temperature: 1.000000
Total energy: -176.778645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.778645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.778645 (E_RNA)
where:
Base-Base interactions energy: -123.178
where: short stacking energy: -47.174
Base-Backbone interact. energy: -0.413
local terms energy: -53.187636
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -190.606764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.606764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.606764 (E_RNA)
where:
Base-Base interactions energy: -126.182
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.005
local terms energy: -64.419895
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -10.523
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.102
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -164.718813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.718813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.718813 (E_RNA)
where:
Base-Base interactions energy: -108.833
where: short stacking energy: -49.788
Base-Backbone interact. energy: -0.749
local terms energy: -55.136592
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -6.327
tors. eta vs tors. theta energy: -14.944
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: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -155.685430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.685430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.685430 (E_RNA)
where:
Base-Base interactions energy: -110.454
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.431
local terms energy: -44.800450
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -7.240
flat angles C4'-P-C4' energy: -6.504
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -11.290
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: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -85.323613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.323613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.323613 (E_RNA)
where:
Base-Base interactions energy: -35.665
where: short stacking energy: -35.665
Base-Backbone interact. energy: 0.494
local terms energy: -50.151674
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -9.534
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -87.589013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589013 (E_RNA)
where:
Base-Base interactions energy: -41.714
where: short stacking energy: -19.797
Base-Backbone interact. energy: 0.277
local terms energy: -46.152459
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -68.783443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.783443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.783443 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -18.960
Base-Backbone interact. energy: -0.093
local terms energy: -38.695566
where:
bonds (distance) C4'-P energy: -8.044
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -1.216
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: 7
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -64.914851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.914851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.914851 (E_RNA)
where:
Base-Base interactions energy: -28.809
where: short stacking energy: -28.809
Base-Backbone interact. energy: -0.005
local terms energy: -36.100959
where:
bonds (distance) C4'-P energy: -8.642
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -8.777
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -2.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -188.395743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.395743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.395743 (E_RNA)
where:
Base-Base interactions energy: -136.254
where: short stacking energy: -50.288
Base-Backbone interact. energy: -1.011
local terms energy: -51.130867
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -9.701
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -8.839
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: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -194.589221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.589221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.589221 (E_RNA)
where:
Base-Base interactions energy: -138.570
where: short stacking energy: -57.415
Base-Backbone interact. energy: -0.500
local terms energy: -55.518836
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -10.971
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -189.684148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.684148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.684148 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -51.829
Base-Backbone interact. energy: -0.180
local terms energy: -57.540431
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -10.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -171.155833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.155833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.155833 (E_RNA)
where:
Base-Base interactions energy: -126.617
where: short stacking energy: -51.554
Base-Backbone interact. energy: -1.045
local terms energy: -43.494085
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -4.388
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -11.891
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: 5, replica: 6
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -179.657238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.657238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.657238 (E_RNA)
where:
Base-Base interactions energy: -127.495
where: short stacking energy: -52.393
Base-Backbone interact. energy: -0.553
local terms energy: -51.609593
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -154.189187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.189187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.189187 (E_RNA)
where:
Base-Base interactions energy: -106.873
where: short stacking energy: -46.413
Base-Backbone interact. energy: -0.791
local terms energy: -46.525050
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -5.435
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -11.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -81.156341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.156341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.156341 (E_RNA)
where:
Base-Base interactions energy: -38.273
where: short stacking energy: -30.593
Base-Backbone interact. energy: 0.081
local terms energy: -42.964288
where:
bonds (distance) C4'-P energy: -7.283
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -85.060904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.060904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.060904 (E_RNA)
where:
Base-Base interactions energy: -42.580
where: short stacking energy: -23.920
Base-Backbone interact. energy: -0.110
local terms energy: -42.370926
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -3.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -88.445157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.445157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.445157 (E_RNA)
where:
Base-Base interactions energy: -42.524
where: short stacking energy: -42.524
Base-Backbone interact. energy: -0.016
local terms energy: -45.905482
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -62.787367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.787367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.787367 (E_RNA)
where:
Base-Base interactions energy: -27.552
where: short stacking energy: -27.114
Base-Backbone interact. energy: -0.251
local terms energy: -34.983832
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -9.277
flat angles C4'-P-C4' energy: -8.543
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -3.051
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: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -187.666516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.666516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.666516 (E_RNA)
where:
Base-Base interactions energy: -132.152
where: short stacking energy: -55.131
Base-Backbone interact. energy: -0.038
local terms energy: -55.476416
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -192.529471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.529471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.529471 (E_RNA)
where:
Base-Base interactions energy: -130.517
where: short stacking energy: -55.911
Base-Backbone interact. energy: -0.480
local terms energy: -61.533110
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -12.296
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -13.097
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: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -182.244387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.244387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.244387 (E_RNA)
where:
Base-Base interactions energy: -126.865
where: short stacking energy: -57.457
Base-Backbone interact. energy: -0.045
local terms energy: -55.334012
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -162.505456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.505456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.505456 (E_RNA)
where:
Base-Base interactions energy: -104.171
where: short stacking energy: -44.048
Base-Backbone interact. energy: -2.010
local terms energy: -56.324503
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -9.275
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -13.403
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: 5, replica: 6
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -187.831305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.831305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.831305 (E_RNA)
where:
Base-Base interactions energy: -132.070
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.008
local terms energy: -55.753275
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -155.509472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.509472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.509472 (E_RNA)
where:
Base-Base interactions energy: -102.900
where: short stacking energy: -43.594
Base-Backbone interact. energy: -0.013
local terms energy: -52.596768
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -110.069207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.069207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.069207 (E_RNA)
where:
Base-Base interactions energy: -63.670
where: short stacking energy: -31.387
Base-Backbone interact. energy: -0.148
local terms energy: -46.250949
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -9.590
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -9.703
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: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -80.431436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.431436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.431436 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -34.504
Base-Backbone interact. energy: -0.137
local terms energy: -42.268338
where:
bonds (distance) C4'-P energy: -7.220
bonds (distance) P-C4' energy: -9.788
flat angles C4'-P-C4' energy: -10.311
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -8.367
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -72.393114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.393114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.393114 (E_RNA)
where:
Base-Base interactions energy: -30.551
where: short stacking energy: -30.551
Base-Backbone interact. energy: -0.040
local terms energy: -41.802273
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -8.523
flat angles P-C4'-P energy: -3.723
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -67.045542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.045542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.045542 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -24.807
Base-Backbone interact. energy: -0.398
local terms energy: -41.840521
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -5.380
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: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -194.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.504425 (E_RNA)
where:
Base-Base interactions energy: -135.087
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.978
local terms energy: -58.439366
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -185.904180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.904180 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -52.505
Base-Backbone interact. energy: -0.058
local terms energy: -58.536545
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -183.633053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.633053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.633053 (E_RNA)
where:
Base-Base interactions energy: -132.373
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.599
local terms energy: -50.660693
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -185.658391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658391 (E_RNA)
where:
Base-Base interactions energy: -125.163
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.084
local terms energy: -60.411714
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -14.503
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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -159.562454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.562454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.562454 (E_RNA)
where:
Base-Base interactions energy: -107.864
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.221
local terms energy: -51.477310
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -10.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -151.339495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.339495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.339495 (E_RNA)
where:
Base-Base interactions energy: -99.331
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.493
local terms energy: -51.515549
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -82.774046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.774046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.774046 (E_RNA)
where:
Base-Base interactions energy: -42.367
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.002
local terms energy: -40.405326
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -73.491479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.491479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.491479 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -24.903
Base-Backbone interact. energy: 0.826
local terms energy: -49.414826
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -6.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -67.483440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.483440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.483440 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -28.703
Base-Backbone interact. energy: -0.053
local terms energy: -37.130438
where:
bonds (distance) C4'-P energy: -7.064
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -76.169676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.169676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.169676 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.289
local terms energy: -40.210005
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -8.632
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -5.385
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: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -192.942778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.942778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.942778 (E_RNA)
where:
Base-Base interactions energy: -133.629
where: short stacking energy: -61.455
Base-Backbone interact. energy: -0.001
local terms energy: -59.312261
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -17.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -185.609110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.609110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.609110 (E_RNA)
where:
Base-Base interactions energy: -129.294
where: short stacking energy: -50.858
Base-Backbone interact. energy: -0.094
local terms energy: -56.220635
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -183.394854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.394854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.394854 (E_RNA)
where:
Base-Base interactions energy: -123.790
where: short stacking energy: -54.734
Base-Backbone interact. energy: -0.024
local terms energy: -59.580815
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.831
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: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -182.324539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.324539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.324539 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -52.691
Base-Backbone interact. energy: -0.018
local terms energy: -52.640681
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -9.162
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -165.185926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.185926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.185926 (E_RNA)
where:
Base-Base interactions energy: -107.796
where: short stacking energy: -43.739
Base-Backbone interact. energy: -1.191
local terms energy: -56.199286
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -12.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -163.405592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.405592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.405592 (E_RNA)
where:
Base-Base interactions energy: -113.960
where: short stacking energy: -48.877
Base-Backbone interact. energy: 1.437
local terms energy: -50.882202
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -9.476
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -12.884
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: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -87.138168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.138168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.138168 (E_RNA)
where:
Base-Base interactions energy: -34.821
where: short stacking energy: -34.821
Base-Backbone interact. energy: -0.019
local terms energy: -52.298815
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -7.656
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: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -78.909971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.909971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.909971 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -29.701
Base-Backbone interact. energy: -0.469
local terms energy: -40.458578
where:
bonds (distance) C4'-P energy: -4.761
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -74.707940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.707940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.707940 (E_RNA)
where:
Base-Base interactions energy: -29.138
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.039
local terms energy: -45.530543
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -61.075985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.075985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.075985 (E_RNA)
where:
Base-Base interactions energy: -17.942
where: short stacking energy: -17.942
Base-Backbone interact. energy: -0.070
local terms energy: -43.063985
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -0.313
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: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -193.468682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.468682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.468682 (E_RNA)
where:
Base-Base interactions energy: -130.813
where: short stacking energy: -58.581
Base-Backbone interact. energy: -0.009
local terms energy: -62.647024
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.566
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: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -195.141909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.141909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.141909 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.045
local terms energy: -62.595568
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -189.901637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.901637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.901637 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.010
local terms energy: -61.362180
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -16.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -171.320971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.320971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.320971 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.033
local terms energy: -50.442210
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -9.224
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -10.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -180.224011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224011 (E_RNA)
where:
Base-Base interactions energy: -123.194
where: short stacking energy: -56.126
Base-Backbone interact. energy: -0.681
local terms energy: -56.349128
where:
bonds (distance) C4'-P energy: -8.715
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -15.745
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: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -163.007919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.007919 (E_RNA)
where:
Base-Base interactions energy: -106.717
where: short stacking energy: -46.676
Base-Backbone interact. energy: -0.107
local terms energy: -56.184309
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -75.155404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.155404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.155404 (E_RNA)
where:
Base-Base interactions energy: -32.842
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.034
local terms energy: -42.279602
where:
bonds (distance) C4'-P energy: -10.975
bonds (distance) P-C4' energy: -9.660
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -4.195
tors. eta vs tors. theta energy: -6.200
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: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -70.849287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.849287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.849287 (E_RNA)
where:
Base-Base interactions energy: -20.056
where: short stacking energy: -20.056
Base-Backbone interact. energy: -0.880
local terms energy: -49.913416
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -70.328940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.328940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.328940 (E_RNA)
where:
Base-Base interactions energy: -31.910
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.001
local terms energy: -38.418228
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -5.891
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: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -60.575141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.575141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.575141 (E_RNA)
where:
Base-Base interactions energy: -29.805
where: short stacking energy: -21.321
Base-Backbone interact. energy: -0.088
local terms energy: -30.681969
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -2.084
flat angles P-C4'-P energy: -1.965
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -194.073822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.073822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.073822 (E_RNA)
where:
Base-Base interactions energy: -132.223
where: short stacking energy: -63.396
Base-Backbone interact. energy: -0.600
local terms energy: -61.250378
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -195.617354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.617354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.617354 (E_RNA)
where:
Base-Base interactions energy: -131.105
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.211
local terms energy: -64.300940
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -176.846166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.846166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.846166 (E_RNA)
where:
Base-Base interactions energy: -122.512
where: short stacking energy: -52.950
Base-Backbone interact. energy: -0.003
local terms energy: -54.330518
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -11.902
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: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -181.698519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.698519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.698519 (E_RNA)
where:
Base-Base interactions energy: -121.302
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.028
local terms energy: -60.368741
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -14.822
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: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -186.904423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.904423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.904423 (E_RNA)
where:
Base-Base interactions energy: -127.614
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.000
local terms energy: -59.289738
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -159.289002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.289002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.289002 (E_RNA)
where:
Base-Base interactions energy: -102.426
where: short stacking energy: -41.323
Base-Backbone interact. energy: -0.112
local terms energy: -56.750869
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -11.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -79.555608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.555608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.555608 (E_RNA)
where:
Base-Base interactions energy: -31.936
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.062
local terms energy: -47.557746
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.513
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -7.555
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: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -65.490525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.490525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.490525 (E_RNA)
where:
Base-Base interactions energy: -27.273
where: short stacking energy: -25.603
Base-Backbone interact. energy: -0.171
local terms energy: -38.046699
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -8.026
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -95.888327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.888327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.888327 (E_RNA)
where:
Base-Base interactions energy: -54.978
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.004
local terms energy: -40.906141
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -2.118
tors. eta vs tors. theta energy: -6.464
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: 7
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -66.755369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.755369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.755369 (E_RNA)
where:
Base-Base interactions energy: -38.573
where: short stacking energy: -20.669
Base-Backbone interact. energy: 0.162
local terms energy: -28.344504
where:
bonds (distance) C4'-P energy: -9.049
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -6.269
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -190.617186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.617186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.617186 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.007
local terms energy: -59.942224
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -187.159423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.159423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.159423 (E_RNA)
where:
Base-Base interactions energy: -129.945
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.086
local terms energy: -57.128309
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -16.524
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: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -167.196790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.196790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.196790 (E_RNA)
where:
Base-Base interactions energy: -111.427
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.055
local terms energy: -55.714662
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -10.899
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: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -186.616373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.616373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.616373 (E_RNA)
where:
Base-Base interactions energy: -131.502
where: short stacking energy: -63.384
Base-Backbone interact. energy: -0.012
local terms energy: -55.102197
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -8.504
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -180.696272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.696272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.696272 (E_RNA)
where:
Base-Base interactions energy: -124.224
where: short stacking energy: -60.748
Base-Backbone interact. energy: -0.015
local terms energy: -56.457178
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -12.505
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: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -160.358715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.358715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.358715 (E_RNA)
where:
Base-Base interactions energy: -109.667
where: short stacking energy: -51.363
Base-Backbone interact. energy: -0.014
local terms energy: -50.678370
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -105.357165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357165 (E_RNA)
where:
Base-Base interactions energy: -62.422
where: short stacking energy: -34.471
Base-Backbone interact. energy: -0.246
local terms energy: -42.689169
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -7.646
flat angles P-C4'-P energy: -6.719
tors. eta vs tors. theta energy: -6.097
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: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -66.925702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.925702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.925702 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -19.905
Base-Backbone interact. energy: -0.102
local terms energy: -31.957188
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -7.595
flat angles P-C4'-P energy: -5.556
tors. eta vs tors. theta energy: 2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -82.702236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.702236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.702236 (E_RNA)
where:
Base-Base interactions energy: -39.742
where: short stacking energy: -39.742
Base-Backbone interact. energy: -0.022
local terms energy: -42.938688
where:
bonds (distance) C4'-P energy: -4.172
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -61.397204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.397204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.397204 (E_RNA)
where:
Base-Base interactions energy: -24.338
where: short stacking energy: -20.456
Base-Backbone interact. energy: 1.568
local terms energy: -38.627394
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -11.048
flat angles C4'-P-C4' energy: -6.544
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -3.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -188.439714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.439714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.439714 (E_RNA)
where:
Base-Base interactions energy: -128.917
where: short stacking energy: -58.211
Base-Backbone interact. energy: -0.016
local terms energy: -59.506184
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -193.795318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.795318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.795318 (E_RNA)
where:
Base-Base interactions energy: -136.403
where: short stacking energy: -60.812
Base-Backbone interact. energy: -0.000
local terms energy: -57.391984
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -190.875702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.875702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.875702 (E_RNA)
where:
Base-Base interactions energy: -129.351
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.018
local terms energy: -61.506061
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -161.362251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.362251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.362251 (E_RNA)
where:
Base-Base interactions energy: -106.440
where: short stacking energy: -44.350
Base-Backbone interact. energy: -0.193
local terms energy: -54.728416
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -11.518
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: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -185.351382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.351382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.351382 (E_RNA)
where:
Base-Base interactions energy: -129.811
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.001
local terms energy: -55.539693
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -16.868
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: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -157.384095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.384095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.384095 (E_RNA)
where:
Base-Base interactions energy: -109.372
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.072
local terms energy: -47.940755
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -8.319
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -9.433
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: 32
Temperature: 1.200000
Total energy: -89.673266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.673266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.673266 (E_RNA)
where:
Base-Base interactions energy: -47.850
where: short stacking energy: -21.991
Base-Backbone interact. energy: -0.123
local terms energy: -41.699934
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -9.380
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -4.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -79.032324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.032324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.032324 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -17.236
Base-Backbone interact. energy: -0.106
local terms energy: -48.328074
where:
bonds (distance) C4'-P energy: -12.449
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -9.948
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -2.168
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: 9, replica: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -66.510895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.510895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.510895 (E_RNA)
where:
Base-Base interactions energy: -32.327
where: short stacking energy: -32.327
Base-Backbone interact. energy: 0.155
local terms energy: -34.338758
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -7.274
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -5.021
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: 10, replica: 8
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -67.707641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.707641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.707641 (E_RNA)
where:
Base-Base interactions energy: -23.866
where: short stacking energy: -23.866
Base-Backbone interact. energy: -0.004
local terms energy: -43.837082
where:
bonds (distance) C4'-P energy: -6.732
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.090
tors. eta vs tors. theta energy: -6.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -194.810616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.810616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.810616 (E_RNA)
where:
Base-Base interactions energy: -128.406
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.307
local terms energy: -66.097336
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -189.289895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.289895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.289895 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.000
local terms energy: -57.846530
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -186.501024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.501024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.501024 (E_RNA)
where:
Base-Base interactions energy: -131.871
where: short stacking energy: -59.999
Base-Backbone interact. energy: -0.002
local terms energy: -54.627599
where:
bonds (distance) C4'-P energy: -9.295
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -189.678675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.678675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.678675 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.005
local terms energy: -62.316873
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -13.594
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: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -158.662786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.662786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.662786 (E_RNA)
where:
Base-Base interactions energy: -110.368
where: short stacking energy: -48.543
Base-Backbone interact. energy: -0.000
local terms energy: -48.294517
where:
bonds (distance) C4'-P energy: -7.804
bonds (distance) P-C4' energy: -8.371
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -11.942
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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -151.796995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.796995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.796995 (E_RNA)
where:
Base-Base interactions energy: -102.182
where: short stacking energy: -43.507
Base-Backbone interact. energy: -1.209
local terms energy: -48.405505
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -98.764899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.764899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.764899 (E_RNA)
where:
Base-Base interactions energy: -61.392
where: short stacking energy: -24.328
Base-Backbone interact. energy: -0.203
local terms energy: -37.169647
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -9.332
flat angles C4'-P-C4' energy: -9.564
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -0.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -68.275604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.275604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.275604 (E_RNA)
where:
Base-Base interactions energy: -25.867
where: short stacking energy: -25.867
Base-Backbone interact. energy: -0.070
local terms energy: -42.338934
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -3.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -98.804272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.804272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.804272 (E_RNA)
where:
Base-Base interactions energy: -54.570
where: short stacking energy: -21.819
Base-Backbone interact. energy: 0.569
local terms energy: -44.803760
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -10.276
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -64.930574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.930574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.930574 (E_RNA)
where:
Base-Base interactions energy: -19.504
where: short stacking energy: -18.732
Base-Backbone interact. energy: -0.070
local terms energy: -45.356502
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -4.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -198.488747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.488747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.488747 (E_RNA)
where:
Base-Base interactions energy: -134.189
where: short stacking energy: -63.132
Base-Backbone interact. energy: 0.792
local terms energy: -65.091436
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -17.255
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: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -192.014559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.014559 (E_RNA)
where:
Base-Base interactions energy: -132.691
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.003
local terms energy: -59.320567
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -192.523680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.523680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.523680 (E_RNA)
where:
Base-Base interactions energy: -137.130
where: short stacking energy: -62.190
Base-Backbone interact. energy: -0.000
local terms energy: -55.393840
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -187.986898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.986898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.986898 (E_RNA)
where:
Base-Base interactions energy: -127.067
where: short stacking energy: -55.619
Base-Backbone interact. energy: -0.004
local terms energy: -60.915701
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -146.593309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.593309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.593309 (E_RNA)
where:
Base-Base interactions energy: -94.985
where: short stacking energy: -36.443
Base-Backbone interact. energy: -0.101
local terms energy: -51.506500
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -7.343
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: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -157.591045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.591045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.591045 (E_RNA)
where:
Base-Base interactions energy: -98.456
where: short stacking energy: -38.829
Base-Backbone interact. energy: -1.368
local terms energy: -57.767696
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -78.438988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.438988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.438988 (E_RNA)
where:
Base-Base interactions energy: -40.755
where: short stacking energy: -39.495
Base-Backbone interact. energy: -0.043
local terms energy: -37.640903
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: 2.156
tors. eta vs tors. theta energy: -4.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -94.700269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.700269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.700269 (E_RNA)
where:
Base-Base interactions energy: -51.524
where: short stacking energy: -26.884
Base-Backbone interact. energy: -0.010
local terms energy: -43.166832
where:
bonds (distance) C4'-P energy: -9.025
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -12.317
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -63.592236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.592236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.592236 (E_RNA)
where:
Base-Base interactions energy: -23.564
where: short stacking energy: -23.564
Base-Backbone interact. energy: 0.956
local terms energy: -40.984378
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -73.124575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.124575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.124575 (E_RNA)
where:
Base-Base interactions energy: -37.686
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.077
local terms energy: -35.361721
where:
bonds (distance) C4'-P energy: -7.120
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -1.851
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -191.942775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.942775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.942775 (E_RNA)
where:
Base-Base interactions energy: -133.468
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.001
local terms energy: -58.473450
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -12.747
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: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -189.074614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.074614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.074614 (E_RNA)
where:
Base-Base interactions energy: -128.357
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.074
local terms energy: -60.642948
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.002
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -14.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -188.077430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.077430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.077430 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.055
local terms energy: -57.556441
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -185.855487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.855487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.855487 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.067
local terms energy: -60.648159
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -162.724101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.724101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.724101 (E_RNA)
where:
Base-Base interactions energy: -104.069
where: short stacking energy: -50.650
Base-Backbone interact. energy: -0.038
local terms energy: -58.617333
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -161.889166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.889166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.889166 (E_RNA)
where:
Base-Base interactions energy: -112.857
where: short stacking energy: -47.763
Base-Backbone interact. energy: -1.050
local terms energy: -47.982846
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -10.068
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: 7, replica: 7
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -69.563848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.563848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.563848 (E_RNA)
where:
Base-Base interactions energy: -30.730
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.138
local terms energy: -38.695711
where:
bonds (distance) C4'-P energy: -8.180
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -98.380680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.380680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.380680 (E_RNA)
where:
Base-Base interactions energy: -63.272
where: short stacking energy: -20.491
Base-Backbone interact. energy: -0.699
local terms energy: -34.409760
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -75.138135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.138135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.138135 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -27.802
Base-Backbone interact. energy: 0.140
local terms energy: -43.488933
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -9.396
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -5.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -88.087769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087769 (E_RNA)
where:
Base-Base interactions energy: -54.820
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.840
local terms energy: -32.427605
where:
bonds (distance) C4'-P energy: -5.971
bonds (distance) P-C4' energy: -8.793
flat angles C4'-P-C4' energy: -5.488
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -187.754226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.754226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.754226 (E_RNA)
where:
Base-Base interactions energy: -129.012
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.061
local terms energy: -58.680938
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -195.180341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.180341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.180341 (E_RNA)
where:
Base-Base interactions energy: -132.365
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.002
local terms energy: -62.813303
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.347
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: 3, replica: 5
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -179.140773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.140773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.140773 (E_RNA)
where:
Base-Base interactions energy: -122.932
where: short stacking energy: -51.113
Base-Backbone interact. energy: -0.042
local terms energy: -56.166224
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -184.240462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.240462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.240462 (E_RNA)
where:
Base-Base interactions energy: -136.049
where: short stacking energy: -50.966
Base-Backbone interact. energy: 0.523
local terms energy: -48.714496
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -2.855
tors. eta vs tors. theta energy: -9.607
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -158.383394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.383394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.383394 (E_RNA)
where:
Base-Base interactions energy: -104.835
where: short stacking energy: -44.134
Base-Backbone interact. energy: -0.874
local terms energy: -52.674281
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -157.365186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.365186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.365186 (E_RNA)
where:
Base-Base interactions energy: -101.106
where: short stacking energy: -43.997
Base-Backbone interact. energy: -1.164
local terms energy: -55.095403
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -77.867125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.867125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.867125 (E_RNA)
where:
Base-Base interactions energy: -33.866
where: short stacking energy: -33.866
Base-Backbone interact. energy: -0.002
local terms energy: -43.999147
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -3.850
tors. eta vs tors. theta energy: -6.838
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: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -79.247676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.247676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.247676 (E_RNA)
where:
Base-Base interactions energy: -32.232
where: short stacking energy: -32.232
Base-Backbone interact. energy: -0.172
local terms energy: -46.843965
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -9.905
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: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -76.199814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.199814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.199814 (E_RNA)
where:
Base-Base interactions energy: -35.651
where: short stacking energy: -19.274
Base-Backbone interact. energy: -0.185
local terms energy: -40.364271
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: 0.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -66.130145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.130145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.130145 (E_RNA)
where:
Base-Base interactions energy: -30.387
where: short stacking energy: -30.387
Base-Backbone interact. energy: -0.003
local terms energy: -35.740268
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -5.940
flat angles P-C4'-P energy: -3.586
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -191.203882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.203882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.203882 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.000
local terms energy: -60.046605
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -17.428
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: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -189.996649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.996649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.996649 (E_RNA)
where:
Base-Base interactions energy: -137.287
where: short stacking energy: -55.569
Base-Backbone interact. energy: 0.042
local terms energy: -52.751481
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -7.639
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -10.190
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: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -185.827957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.827957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.827957 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.251
local terms energy: -61.213587
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -13.536
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: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -164.755895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.755895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.755895 (E_RNA)
where:
Base-Base interactions energy: -110.486
where: short stacking energy: -47.999
Base-Backbone interact. energy: -0.010
local terms energy: -54.259503
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -14.007
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: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -186.097878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.097878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.097878 (E_RNA)
where:
Base-Base interactions energy: -130.460
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.053
local terms energy: -55.584797
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -9.602
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.887
tors. eta vs tors. theta energy: -14.238
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: 6, replica: 1
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -163.626226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.626226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.626226 (E_RNA)
where:
Base-Base interactions energy: -111.799
where: short stacking energy: -52.556
Base-Backbone interact. energy: 0.159
local terms energy: -51.985888
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -125.573413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.573413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.573413 (E_RNA)
where:
Base-Base interactions energy: -71.996
where: short stacking energy: -43.754
Base-Backbone interact. energy: -0.238
local terms energy: -53.339389
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -9.452
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: 8, replica: 9
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -160.541743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.541743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.541743 (E_RNA)
where:
Base-Base interactions energy: -111.267
where: short stacking energy: -46.913
Base-Backbone interact. energy: -0.010
local terms energy: -49.265222
where:
bonds (distance) C4'-P energy: -8.317
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -8.297
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: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -72.372984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.372984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.372984 (E_RNA)
where:
Base-Base interactions energy: -26.373
where: short stacking energy: -25.809
Base-Backbone interact. energy: -1.460
local terms energy: -44.540066
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -4.516
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -6.537
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: 37
Temperature: 1.350000
Total energy: -64.552933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.552933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.552933 (E_RNA)
where:
Base-Base interactions energy: -24.807
where: short stacking energy: -21.424
Base-Backbone interact. energy: -0.185
local terms energy: -39.560937
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -9.129
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -4.915
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -190.404859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404859 (E_RNA)
where:
Base-Base interactions energy: -131.208
where: short stacking energy: -59.276
Base-Backbone interact. energy: -0.006
local terms energy: -59.191246
where:
bonds (distance) C4'-P energy: -8.677
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.569
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: 2, replica: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -190.283977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.283977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.283977 (E_RNA)
where:
Base-Base interactions energy: -132.338
where: short stacking energy: -52.076
Base-Backbone interact. energy: -1.252
local terms energy: -56.694387
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -183.885042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.885042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.885042 (E_RNA)
where:
Base-Base interactions energy: -125.908
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.001
local terms energy: -57.976338
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -10.800
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -14.813
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: 4, replica: 4
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -168.446567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.446567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.446567 (E_RNA)
where:
Base-Base interactions energy: -111.122
where: short stacking energy: -49.319
Base-Backbone interact. energy: -1.815
local terms energy: -55.509751
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -9.168
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -13.487
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: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -182.085129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.085129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.085129 (E_RNA)
where:
Base-Base interactions energy: -124.370
where: short stacking energy: -55.530
Base-Backbone interact. energy: 0.422
local terms energy: -58.137039
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -152.763517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.763517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.763517 (E_RNA)
where:
Base-Base interactions energy: -109.402
where: short stacking energy: -47.059
Base-Backbone interact. energy: -0.008
local terms energy: -43.353723
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -6.924
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -3.485
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -174.989825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.989825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.989825 (E_RNA)
where:
Base-Base interactions energy: -122.270
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.071
local terms energy: -52.648119
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -7.054
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -16.469
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: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -109.235823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.235823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.235823 (E_RNA)
where:
Base-Base interactions energy: -68.549
where: short stacking energy: -27.937
Base-Backbone interact. energy: -0.776
local terms energy: -39.910839
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -3.006
tors. eta vs tors. theta energy: -2.549
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -71.574699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.574699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.574699 (E_RNA)
where:
Base-Base interactions energy: -34.588
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.052
local terms energy: -36.934580
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -78.650516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650516 (E_RNA)
where:
Base-Base interactions energy: -34.876
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.048
local terms energy: -43.726464
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -9.482
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -185.316126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316126 (E_RNA)
where:
Base-Base interactions energy: -129.758
where: short stacking energy: -59.730
Base-Backbone interact. energy: -0.000
local terms energy: -55.558177
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -11.968
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: 39
Temperature: 0.950000
Total energy: -180.062181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.062181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.062181 (E_RNA)
where:
Base-Base interactions energy: -125.525
where: short stacking energy: -54.850
Base-Backbone interact. energy: -0.093
local terms energy: -54.443402
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -186.634690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.634690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.634690 (E_RNA)
where:
Base-Base interactions energy: -132.799
where: short stacking energy: -51.714
Base-Backbone interact. energy: -0.512
local terms energy: -53.323947
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -9.961
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -184.710791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710791 (E_RNA)
where:
Base-Base interactions energy: -124.767
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.000
local terms energy: -59.943650
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -158.149802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.149802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.149802 (E_RNA)
where:
Base-Base interactions energy: -106.857
where: short stacking energy: -45.037
Base-Backbone interact. energy: 0.865
local terms energy: -52.156902
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -5.806
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -174.592002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.592002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.592002 (E_RNA)
where:
Base-Base interactions energy: -121.089
where: short stacking energy: -58.444
Base-Backbone interact. energy: -0.011
local terms energy: -53.492367
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -8.379
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -12.990
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: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -162.059100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.059100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.059100 (E_RNA)
where:
Base-Base interactions energy: -111.327
where: short stacking energy: -47.547
Base-Backbone interact. energy: -0.067
local terms energy: -50.665855
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -120.122724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.122724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.122724 (E_RNA)
where:
Base-Base interactions energy: -73.445
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.059
local terms energy: -46.618730
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -7.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -74.585528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.585528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.585528 (E_RNA)
where:
Base-Base interactions energy: -25.736
where: short stacking energy: -25.736
Base-Backbone interact. energy: -0.081
local terms energy: -48.767957
where:
bonds (distance) C4'-P energy: -8.826
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -64.900056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.900056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.900056 (E_RNA)
where:
Base-Base interactions energy: -23.561
where: short stacking energy: -23.561
Base-Backbone interact. energy: -0.121
local terms energy: -41.218123
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -3.776
tors. eta vs tors. theta energy: -3.395
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: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -193.158830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.158830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.158830 (E_RNA)
where:
Base-Base interactions energy: -130.835
where: short stacking energy: -57.220
Base-Backbone interact. energy: -0.005
local terms energy: -62.319285
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -185.466631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.466631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.466631 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -54.675
Base-Backbone interact. energy: -0.713
local terms energy: -59.581730
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -14.118
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: 5
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -189.460132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.460132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.460132 (E_RNA)
where:
Base-Base interactions energy: -126.252
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.193
local terms energy: -63.015391
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -185.075003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.075003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.075003 (E_RNA)
where:
Base-Base interactions energy: -122.737
where: short stacking energy: -51.634
Base-Backbone interact. energy: -0.090
local terms energy: -62.248313
where:
bonds (distance) C4'-P energy: -12.243
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -179.228632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228632 (E_RNA)
where:
Base-Base interactions energy: -126.365
where: short stacking energy: -52.527
Base-Backbone interact. energy: -1.888
local terms energy: -50.975608
where:
bonds (distance) C4'-P energy: -8.015
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -10.073
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -179.420664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.420664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.420664 (E_RNA)
where:
Base-Base interactions energy: -122.881
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.010
local terms energy: -56.529735
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -131.294877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.294877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.294877 (E_RNA)
where:
Base-Base interactions energy: -76.634
where: short stacking energy: -42.262
Base-Backbone interact. energy: -0.093
local terms energy: -54.568247
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -12.684
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: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -148.896823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.896823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.896823 (E_RNA)
where:
Base-Base interactions energy: -98.135
where: short stacking energy: -33.720
Base-Backbone interact. energy: -0.541
local terms energy: -50.220348
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -9.500
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: 40
Temperature: 1.300000
Total energy: -64.540634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.540634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.540634 (E_RNA)
where:
Base-Base interactions energy: -26.035
where: short stacking energy: -16.478
Base-Backbone interact. energy: -0.086
local terms energy: -38.419790
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -61.373699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.373699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.373699 (E_RNA)
where:
Base-Base interactions energy: -23.824
where: short stacking energy: -22.932
Base-Backbone interact. energy: 0.357
local terms energy: -37.906476
where:
bonds (distance) C4'-P energy: -7.534
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -6.949
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: 41
Temperature: 0.900000
Total energy: -197.012841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.012841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.012841 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.004
local terms energy: -63.950991
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -16.255
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: 2, replica: 5
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -188.488980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.488980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.488980 (E_RNA)
where:
Base-Base interactions energy: -130.655
where: short stacking energy: -56.401
Base-Backbone interact. energy: 0.700
local terms energy: -58.533491
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -14.062
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: 41
Temperature: 1.000000
Total energy: -181.827433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.827433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.827433 (E_RNA)
where:
Base-Base interactions energy: -124.873
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.021
local terms energy: -56.933374
where:
bonds (distance) C4'-P energy: -11.898
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -10.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -186.035439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.035439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.035439 (E_RNA)
where:
Base-Base interactions energy: -125.692
where: short stacking energy: -58.570
Base-Backbone interact. energy: -0.849
local terms energy: -59.494878
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -11.527
flat angles P-C4'-P energy: -7.670
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: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -162.047385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.047385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.047385 (E_RNA)
where:
Base-Base interactions energy: -110.035
where: short stacking energy: -46.745
Base-Backbone interact. energy: -1.303
local terms energy: -50.709077
where:
bonds (distance) C4'-P energy: -6.766
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -8.904
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: 6, replica: 9
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -178.361422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.361422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.361422 (E_RNA)
where:
Base-Base interactions energy: -120.877
where: short stacking energy: -52.300
Base-Backbone interact. energy: -0.155
local terms energy: -57.329806
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -126.737334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.737334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.737334 (E_RNA)
where:
Base-Base interactions energy: -75.702
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.059
local terms energy: -50.976328
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -8.832
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: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -147.460566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.460566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.460566 (E_RNA)
where:
Base-Base interactions energy: -102.538
where: short stacking energy: -44.762
Base-Backbone interact. energy: 1.271
local terms energy: -46.193454
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -7.864
flat angles P-C4'-P energy: -2.441
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -66.919354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.919354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.919354 (E_RNA)
where:
Base-Base interactions energy: -26.338
where: short stacking energy: -20.288
Base-Backbone interact. energy: -0.196
local terms energy: -40.385257
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -8.094
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -69.786613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.786613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.786613 (E_RNA)
where:
Base-Base interactions energy: -26.026
where: short stacking energy: -26.026
Base-Backbone interact. energy: -0.118
local terms energy: -43.642698
where:
bonds (distance) C4'-P energy: -7.295
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -193.345660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.345660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.345660 (E_RNA)
where:
Base-Base interactions energy: -130.959
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.002
local terms energy: -62.385237
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -195.320677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.320677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.320677 (E_RNA)
where:
Base-Base interactions energy: -134.290
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.002
local terms energy: -61.028675
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -182.449463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449463 (E_RNA)
where:
Base-Base interactions energy: -128.437
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.124
local terms energy: -53.888728
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -12.541
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: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -183.760690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760690 (E_RNA)
where:
Base-Base interactions energy: -132.386
where: short stacking energy: -56.127
Base-Backbone interact. energy: -0.194
local terms energy: -51.181142
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -11.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -175.792452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.792452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.792452 (E_RNA)
where:
Base-Base interactions energy: -123.021
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.011
local terms energy: -52.761077
where:
bonds (distance) C4'-P energy: -6.446
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -16.374
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: 4
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -159.840355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.840355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.840355 (E_RNA)
where:
Base-Base interactions energy: -111.624
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.048
local terms energy: -48.168723
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -4.550
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -153.667763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.667763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.667763 (E_RNA)
where:
Base-Base interactions energy: -103.848
where: short stacking energy: -43.015
Base-Backbone interact. energy: -1.180
local terms energy: -48.640652
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -8.903
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -117.983119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.983119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.983119 (E_RNA)
where:
Base-Base interactions energy: -69.023
where: short stacking energy: -36.506
Base-Backbone interact. energy: -0.114
local terms energy: -48.845901
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -85.023357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.023357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.023357 (E_RNA)
where:
Base-Base interactions energy: -34.099
where: short stacking energy: -34.099
Base-Backbone interact. energy: -0.608
local terms energy: -50.316485
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -7.212
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: 7
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -61.937251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.937251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.937251 (E_RNA)
where:
Base-Base interactions energy: -24.679
where: short stacking energy: -22.875
Base-Backbone interact. energy: -0.141
local terms energy: -37.116780
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -7.887
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -1.135
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: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -195.989720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.989720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.989720 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -63.141
Base-Backbone interact. energy: 0.211
local terms energy: -64.990982
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -6.461
tors. eta vs tors. theta energy: -17.962
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: 5
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -196.371785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.371785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.371785 (E_RNA)
where:
Base-Base interactions energy: -133.795
where: short stacking energy: -64.646
Base-Backbone interact. energy: -0.020
local terms energy: -62.556940
where:
bonds (distance) C4'-P energy: -11.323
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -17.200
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: 43
Temperature: 1.000000
Total energy: -189.464221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.464221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.464221 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -50.960
Base-Backbone interact. energy: -1.029
local terms energy: -53.086608
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -13.549
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: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -181.518218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.518218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.518218 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -52.763
Base-Backbone interact. energy: -0.054
local terms energy: -56.846282
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -12.786
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -182.139905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.139905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.139905 (E_RNA)
where:
Base-Base interactions energy: -129.256
where: short stacking energy: -58.565
Base-Backbone interact. energy: -0.003
local terms energy: -52.880813
where:
bonds (distance) C4'-P energy: -5.970
bonds (distance) P-C4' energy: -9.752
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -159.716903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.716903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.716903 (E_RNA)
where:
Base-Base interactions energy: -100.289
where: short stacking energy: -44.448
Base-Backbone interact. energy: -0.002
local terms energy: -59.426133
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -145.842758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.842758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.842758 (E_RNA)
where:
Base-Base interactions energy: -102.461
where: short stacking energy: -37.550
Base-Backbone interact. energy: -0.006
local terms energy: -43.376147
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -9.967
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -6.160
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: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -113.336451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.336451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.336451 (E_RNA)
where:
Base-Base interactions energy: -72.758
where: short stacking energy: -38.529
Base-Backbone interact. energy: 0.421
local terms energy: -40.999158
where:
bonds (distance) C4'-P energy: -2.989
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -11.573
flat angles P-C4'-P energy: -8.809
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: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -68.121666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.121666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.121666 (E_RNA)
where:
Base-Base interactions energy: -25.371
where: short stacking energy: -23.287
Base-Backbone interact. energy: -0.106
local terms energy: -42.644374
where:
bonds (distance) C4'-P energy: -9.960
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -2.305
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: 43
Temperature: 1.350000
Total energy: -60.111983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.111983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.111983 (E_RNA)
where:
Base-Base interactions energy: -22.240
where: short stacking energy: -22.240
Base-Backbone interact. energy: 0.345
local terms energy: -38.217300
where:
bonds (distance) C4'-P energy: -7.638
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -7.947
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -0.334
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: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -193.116609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.116609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.116609 (E_RNA)
where:
Base-Base interactions energy: -131.008
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.089
local terms energy: -62.020065
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -14.206
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: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -188.426687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.426687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.426687 (E_RNA)
where:
Base-Base interactions energy: -131.817
where: short stacking energy: -56.802
Base-Backbone interact. energy: -0.000
local terms energy: -56.609369
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -14.054
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -185.492540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.492540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.492540 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.021
local terms energy: -55.667610
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -8.224
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -173.761839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.761839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.761839 (E_RNA)
where:
Base-Base interactions energy: -115.300
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.179
local terms energy: -58.283257
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -9.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -180.668277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.668277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.668277 (E_RNA)
where:
Base-Base interactions energy: -119.334
where: short stacking energy: -56.323
Base-Backbone interact. energy: -0.003
local terms energy: -61.331806
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.050
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: 6, replica: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -156.928612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.928612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.928612 (E_RNA)
where:
Base-Base interactions energy: -104.952
where: short stacking energy: -50.129
Base-Backbone interact. energy: 1.446
local terms energy: -53.422439
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -2.552
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -156.818072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.818072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.818072 (E_RNA)
where:
Base-Base interactions energy: -117.186
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.043
local terms energy: -39.589185
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -2.144
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -119.516893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.516893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.516893 (E_RNA)
where:
Base-Base interactions energy: -73.382
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.045
local terms energy: -46.089235
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -4.130
tors. eta vs tors. theta energy: -5.930
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: 9, replica: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -64.505542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.505542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.505542 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.022
local terms energy: -39.407942
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -7.607
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -1.081
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: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -70.573733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.573733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.573733 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.438
local terms energy: -37.273667
where:
bonds (distance) C4'-P energy: -7.513
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -7.395
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -191.742965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.742965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.742965 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -50.386
Base-Backbone interact. energy: 0.070
local terms energy: -58.979819
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -14.019
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -192.774658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.774658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.774658 (E_RNA)
where:
Base-Base interactions energy: -132.676
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.035
local terms energy: -60.062756
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -187.397982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.397982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.397982 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -57.233
Base-Backbone interact. energy: -0.123
local terms energy: -58.836178
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -12.655
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: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -189.303522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.303522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.303522 (E_RNA)
where:
Base-Base interactions energy: -129.735
where: short stacking energy: -57.524
Base-Backbone interact. energy: -0.001
local terms energy: -59.568375
where:
bonds (distance) C4'-P energy: -13.061
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -15.103
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: 3
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -167.418817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.418817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.418817 (E_RNA)
where:
Base-Base interactions energy: -118.712
where: short stacking energy: -46.064
Base-Backbone interact. energy: -0.214
local terms energy: -48.492848
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -154.464368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.464368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.464368 (E_RNA)
where:
Base-Base interactions energy: -100.874
where: short stacking energy: -42.338
Base-Backbone interact. energy: -0.051
local terms energy: -53.540075
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -122.189817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.189817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.189817 (E_RNA)
where:
Base-Base interactions energy: -77.031
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.273
local terms energy: -44.885250
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -116.568781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.568781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.568781 (E_RNA)
where:
Base-Base interactions energy: -67.395
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.001
local terms energy: -49.172853
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -72.831330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.831330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.831330 (E_RNA)
where:
Base-Base interactions energy: -26.586
where: short stacking energy: -24.950
Base-Backbone interact. energy: -0.107
local terms energy: -46.137811
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -3.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -61.405313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.405313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.405313 (E_RNA)
where:
Base-Base interactions energy: -28.114
where: short stacking energy: -28.114
Base-Backbone interact. energy: -0.118
local terms energy: -33.173750
where:
bonds (distance) C4'-P energy: -8.039
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -2.907
tors. eta vs tors. theta energy: 1.829
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -193.309289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.309289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.309289 (E_RNA)
where:
Base-Base interactions energy: -132.436
where: short stacking energy: -64.874
Base-Backbone interact. energy: -0.002
local terms energy: -60.871239
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -16.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -195.939672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.939672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.939672 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.009
local terms energy: -66.130909
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -187.861717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.861717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.861717 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.184
local terms energy: -60.250545
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -181.145876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.145876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.145876 (E_RNA)
where:
Base-Base interactions energy: -121.568
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.049
local terms energy: -59.528451
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -159.355043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.355043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.355043 (E_RNA)
where:
Base-Base interactions energy: -104.921
where: short stacking energy: -51.253
Base-Backbone interact. energy: -0.078
local terms energy: -54.356137
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -163.807444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.807444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.807444 (E_RNA)
where:
Base-Base interactions energy: -111.604
where: short stacking energy: -46.429
Base-Backbone interact. energy: -0.877
local terms energy: -51.326635
where:
bonds (distance) C4'-P energy: -8.809
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.190
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: 7, replica: 10
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -123.390870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.390870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.390870 (E_RNA)
where:
Base-Base interactions energy: -73.062
where: short stacking energy: -39.492
Base-Backbone interact. energy: -0.007
local terms energy: -50.321644
where:
bonds (distance) C4'-P energy: -5.261
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -121.786208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.786208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.786208 (E_RNA)
where:
Base-Base interactions energy: -81.164
where: short stacking energy: -31.845
Base-Backbone interact. energy: 0.452
local terms energy: -41.074401
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -65.988694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.988694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.988694 (E_RNA)
where:
Base-Base interactions energy: -22.943
where: short stacking energy: -22.943
Base-Backbone interact. energy: -0.115
local terms energy: -42.930373
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -8.249
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -5.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -70.004949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.004949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.004949 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -29.215
Base-Backbone interact. energy: -0.155
local terms energy: -40.634371
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -7.986
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -3.422
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -193.563324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.563324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.563324 (E_RNA)
where:
Base-Base interactions energy: -130.025
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.004
local terms energy: -63.535178
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -12.563
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -192.018388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.018388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.018388 (E_RNA)
where:
Base-Base interactions energy: -126.876
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.001
local terms energy: -65.141784
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.788
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: 3, replica: 6
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -187.574925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.574925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.574925 (E_RNA)
where:
Base-Base interactions energy: -127.027
where: short stacking energy: -56.924
Base-Backbone interact. energy: -0.000
local terms energy: -60.547524
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -181.498270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.498270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.498270 (E_RNA)
where:
Base-Base interactions energy: -127.318
where: short stacking energy: -58.381
Base-Backbone interact. energy: -0.101
local terms energy: -54.079314
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -165.782214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.782214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.782214 (E_RNA)
where:
Base-Base interactions energy: -120.240
where: short stacking energy: -51.645
Base-Backbone interact. energy: -0.192
local terms energy: -45.349648
where:
bonds (distance) C4'-P energy: -6.161
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -9.022
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -11.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -178.813104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.813104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.813104 (E_RNA)
where:
Base-Base interactions energy: -124.118
where: short stacking energy: -61.401
Base-Backbone interact. energy: -0.000
local terms energy: -54.694558
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -116.712119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.712119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.712119 (E_RNA)
where:
Base-Base interactions energy: -74.097
where: short stacking energy: -33.635
Base-Backbone interact. energy: -0.562
local terms energy: -42.053067
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -135.058465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.058465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.058465 (E_RNA)
where:
Base-Base interactions energy: -84.230
where: short stacking energy: -35.400
Base-Backbone interact. energy: -0.375
local terms energy: -50.453922
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -7.600
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -11.883
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: 8
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -63.726273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.726273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.726273 (E_RNA)
where:
Base-Base interactions energy: -27.443
where: short stacking energy: -27.443
Base-Backbone interact. energy: -0.012
local terms energy: -36.271749
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -5.922
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -80.295560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.295560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.295560 (E_RNA)
where:
Base-Base interactions energy: -44.520
where: short stacking energy: -30.302
Base-Backbone interact. energy: -0.010
local terms energy: -35.765471
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -1.500
tors. eta vs tors. theta energy: -3.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -189.226615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.226615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.226615 (E_RNA)
where:
Base-Base interactions energy: -127.688
where: short stacking energy: -59.961
Base-Backbone interact. energy: -0.002
local terms energy: -61.536537
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -190.730457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.730457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.730457 (E_RNA)
where:
Base-Base interactions energy: -129.119
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.001
local terms energy: -61.610581
where:
bonds (distance) C4'-P energy: -8.939
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -15.151
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: 5
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -190.236011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.236011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.236011 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.035
local terms energy: -59.492293
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -17.145
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: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -187.319126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.319126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.319126 (E_RNA)
where:
Base-Base interactions energy: -126.103
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.000
local terms energy: -61.216108
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -15.717
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: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -180.832856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.832856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.832856 (E_RNA)
where:
Base-Base interactions energy: -123.143
where: short stacking energy: -50.786
Base-Backbone interact. energy: -0.000
local terms energy: -57.689498
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -13.508
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: 6, replica: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -165.825373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.825373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.825373 (E_RNA)
where:
Base-Base interactions energy: -114.441
where: short stacking energy: -50.938
Base-Backbone interact. energy: -0.080
local terms energy: -51.304032
where:
bonds (distance) C4'-P energy: -7.022
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -12.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -154.949430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.949430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.949430 (E_RNA)
where:
Base-Base interactions energy: -106.566
where: short stacking energy: -45.468
Base-Backbone interact. energy: -0.394
local terms energy: -47.989829
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -2.254
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -106.973739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.973739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.973739 (E_RNA)
where:
Base-Base interactions energy: -66.922
where: short stacking energy: -30.247
Base-Backbone interact. energy: -0.171
local terms energy: -39.881066
where:
bonds (distance) C4'-P energy: -8.426
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -3.769
tors. eta vs tors. theta energy: -6.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -77.028260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.028260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.028260 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -22.907
Base-Backbone interact. energy: -0.069
local terms energy: -36.208981
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: 0.936
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: 48
Temperature: 1.350000
Total energy: -61.178311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.178311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.178311 (E_RNA)
where:
Base-Base interactions energy: -22.112
where: short stacking energy: -22.112
Base-Backbone interact. energy: -0.033
local terms energy: -39.033311
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -10.490
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -193.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.764873 (E_RNA)
where:
Base-Base interactions energy: -133.780
where: short stacking energy: -64.656
Base-Backbone interact. energy: -0.004
local terms energy: -59.980762
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -14.796
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: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -190.922496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.922496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.922496 (E_RNA)
where:
Base-Base interactions energy: -131.404
where: short stacking energy: -62.550
Base-Backbone interact. energy: -0.034
local terms energy: -59.485238
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -185.832464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.832464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.832464 (E_RNA)
where:
Base-Base interactions energy: -130.729
where: short stacking energy: -59.415
Base-Backbone interact. energy: -0.019
local terms energy: -55.084688
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -10.147
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -188.572905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.572905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.572905 (E_RNA)
where:
Base-Base interactions energy: -130.247
where: short stacking energy: -58.529
Base-Backbone interact. energy: -0.043
local terms energy: -58.283567
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -183.180782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.180782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.180782 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -54.631
Base-Backbone interact. energy: -0.184
local terms energy: -57.749852
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -164.399491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.399491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.399491 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.040
local terms energy: -39.267473
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -6.720
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -10.311
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: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -140.248829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.248829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.248829 (E_RNA)
where:
Base-Base interactions energy: -96.134
where: short stacking energy: -40.055
Base-Backbone interact. energy: -0.029
local terms energy: -44.085977
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -8.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -73.866190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.866190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.866190 (E_RNA)
where:
Base-Base interactions energy: -29.231
where: short stacking energy: -29.231
Base-Backbone interact. energy: -0.120
local terms energy: -44.515510
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -3.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -68.916554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.916554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.916554 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -19.972
Base-Backbone interact. energy: -0.109
local terms energy: -31.639259
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -7.017
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -63.707149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.707149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.707149 (E_RNA)
where:
Base-Base interactions energy: -31.376
where: short stacking energy: -18.921
Base-Backbone interact. energy: 0.066
local terms energy: -32.396639
where:
bonds (distance) C4'-P energy: -6.646
bonds (distance) P-C4' energy: -8.606
flat angles C4'-P-C4' energy: -8.861
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -4.045
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: 5
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -199.939170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.939170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.939170 (E_RNA)
where:
Base-Base interactions energy: -134.102
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.015
local terms energy: -65.822509
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -16.392
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: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -192.975842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975842 (E_RNA)
where:
Base-Base interactions energy: -130.965
where: short stacking energy: -61.656
Base-Backbone interact. energy: -0.002
local terms energy: -62.009288
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -184.108799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.108799 (E_RNA)
where:
Base-Base interactions energy: -123.752
where: short stacking energy: -56.055
Base-Backbone interact. energy: 0.146
local terms energy: -60.502720
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -188.123686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.123686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.123686 (E_RNA)
where:
Base-Base interactions energy: -133.524
where: short stacking energy: -52.535
Base-Backbone interact. energy: -0.211
local terms energy: -54.387828
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.749
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: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -177.988950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.988950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.988950 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -53.103
Base-Backbone interact. energy: -0.065
local terms energy: -55.492100
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -11.494
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -159.387390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.387390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.387390 (E_RNA)
where:
Base-Base interactions energy: -107.197
where: short stacking energy: -44.468
Base-Backbone interact. energy: -0.022
local terms energy: -52.168548
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -7.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -153.568261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.568261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.568261 (E_RNA)
where:
Base-Base interactions energy: -105.768
where: short stacking energy: -43.202
Base-Backbone interact. energy: -0.034
local terms energy: -47.765702
where:
bonds (distance) C4'-P energy: -8.897
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -7.179
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -70.282537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.282537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.282537 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -23.101
Base-Backbone interact. energy: -0.029
local terms energy: -41.538279
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -67.894470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.894470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.894470 (E_RNA)
where:
Base-Base interactions energy: -27.229
where: short stacking energy: -23.379
Base-Backbone interact. energy: -0.032
local terms energy: -40.633518
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -10.220
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -71.192941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.192941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.192941 (E_RNA)
where:
Base-Base interactions energy: -33.763
where: short stacking energy: -20.408
Base-Backbone interact. energy: -0.149
local terms energy: -37.280497
where:
bonds (distance) C4'-P energy: -7.460
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -3.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -190.483901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.483901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.483901 (E_RNA)
where:
Base-Base interactions energy: -131.605
where: short stacking energy: -62.981
Base-Backbone interact. energy: -0.003
local terms energy: -58.875915
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -11.118
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -184.886407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886407 (E_RNA)
where:
Base-Base interactions energy: -123.158
where: short stacking energy: -58.007
Base-Backbone interact. energy: -0.000
local terms energy: -61.728207
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -188.175040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.175040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.175040 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -56.372
Base-Backbone interact. energy: 0.079
local terms energy: -59.879072
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -182.529044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.529044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.529044 (E_RNA)
where:
Base-Base interactions energy: -124.464
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.430
local terms energy: -57.635038
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -187.080671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.080671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.080671 (E_RNA)
where:
Base-Base interactions energy: -128.149
where: short stacking energy: -51.931
Base-Backbone interact. energy: -1.212
local terms energy: -57.719236
where:
bonds (distance) C4'-P energy: -9.360
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -163.436456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.436456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.436456 (E_RNA)
where:
Base-Base interactions energy: -100.549
where: short stacking energy: -40.480
Base-Backbone interact. energy: -0.809
local terms energy: -62.078143
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -149.313965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.313965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.313965 (E_RNA)
where:
Base-Base interactions energy: -100.949
where: short stacking energy: -39.633
Base-Backbone interact. energy: -0.010
local terms energy: -48.354824
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -5.944
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: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -69.208134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.208134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.208134 (E_RNA)
where:
Base-Base interactions energy: -26.352
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.380
local terms energy: -42.475500
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -60.859137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.859137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.859137 (E_RNA)
where:
Base-Base interactions energy: -20.350
where: short stacking energy: -18.118
Base-Backbone interact. energy: -0.053
local terms energy: -40.456746
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -9.041
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: 1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -72.386382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.386382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.386382 (E_RNA)
where:
Base-Base interactions energy: -28.532
where: short stacking energy: -28.532
Base-Backbone interact. energy: -0.080
local terms energy: -43.774775
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -191.564416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.564416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.564416 (E_RNA)
where:
Base-Base interactions energy: -130.615
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.001
local terms energy: -60.947543
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -181.542458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542458 (E_RNA)
where:
Base-Base interactions energy: -121.356
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.004
local terms energy: -60.181973
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -15.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -188.415474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.415474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.415474 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -59.174
Base-Backbone interact. energy: -0.003
local terms energy: -60.015316
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -16.150
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: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -180.359203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.359203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.359203 (E_RNA)
where:
Base-Base interactions energy: -125.051
where: short stacking energy: -50.903
Base-Backbone interact. energy: -0.831
local terms energy: -54.477520
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -160.555743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.555743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.555743 (E_RNA)
where:
Base-Base interactions energy: -108.659
where: short stacking energy: -49.436
Base-Backbone interact. energy: -1.152
local terms energy: -50.745548
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -8.210
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -183.979834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.979834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.979834 (E_RNA)
where:
Base-Base interactions energy: -126.950
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.045
local terms energy: -56.984485
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -16.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -157.920027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.920027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.920027 (E_RNA)
where:
Base-Base interactions energy: -105.447
where: short stacking energy: -45.435
Base-Backbone interact. energy: -0.011
local terms energy: -52.461700
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -10.733
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: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -70.251345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.251345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.251345 (E_RNA)
where:
Base-Base interactions energy: -23.711
where: short stacking energy: -23.711
Base-Backbone interact. energy: -0.000
local terms energy: -46.539749
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -63.678732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.678732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.678732 (E_RNA)
where:
Base-Base interactions energy: -21.363
where: short stacking energy: -17.165
Base-Backbone interact. energy: -0.010
local terms energy: -42.305579
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -66.881185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.881185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.881185 (E_RNA)
where:
Base-Base interactions energy: -18.666
where: short stacking energy: -18.666
Base-Backbone interact. energy: -0.096
local terms energy: -48.119170
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.428
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -193.337147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.337147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.337147 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.002
local terms energy: -58.006730
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -14.286
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: 53
Temperature: 0.950000
Total energy: -195.336826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.336826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.336826 (E_RNA)
where:
Base-Base interactions energy: -132.224
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.004
local terms energy: -63.109064
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -186.261519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.261519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.261519 (E_RNA)
where:
Base-Base interactions energy: -123.201
where: short stacking energy: -59.238
Base-Backbone interact. energy: -0.054
local terms energy: -63.005724
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -16.921
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: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -165.613902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.613902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.613902 (E_RNA)
where:
Base-Base interactions energy: -114.399
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.001
local terms energy: -51.214474
where:
bonds (distance) C4'-P energy: -3.131
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -6.682
tors. eta vs tors. theta energy: -14.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -182.699697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.699697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.699697 (E_RNA)
where:
Base-Base interactions energy: -121.282
where: short stacking energy: -55.418
Base-Backbone interact. energy: -0.024
local terms energy: -61.393876
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -158.141293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.141293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.141293 (E_RNA)
where:
Base-Base interactions energy: -106.735
where: short stacking energy: -49.351
Base-Backbone interact. energy: -1.191
local terms energy: -50.215468
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -11.026
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: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -175.900506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.900506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.900506 (E_RNA)
where:
Base-Base interactions energy: -122.812
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.000
local terms energy: -53.087841
where:
bonds (distance) C4'-P energy: -6.963
bonds (distance) P-C4' energy: -10.071
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -83.930787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.930787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.930787 (E_RNA)
where:
Base-Base interactions energy: -47.475
where: short stacking energy: -22.766
Base-Backbone interact. energy: -0.121
local terms energy: -36.334794
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -9.336
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -0.631
tors. eta vs tors. theta energy: -7.400
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: 8
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -70.158765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.158765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.158765 (E_RNA)
where:
Base-Base interactions energy: -25.664
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.066
local terms energy: -44.428805
where:
bonds (distance) C4'-P energy: -7.962
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -6.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -71.414004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.414004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.414004 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -27.530
Base-Backbone interact. energy: -0.053
local terms energy: -40.955601
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -4.267
tors. eta vs tors. theta energy: -6.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -189.060021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.060021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.060021 (E_RNA)
where:
Base-Base interactions energy: -128.922
where: short stacking energy: -62.211
Base-Backbone interact. energy: 0.966
local terms energy: -61.104159
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -183.943957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.943957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.943957 (E_RNA)
where:
Base-Base interactions energy: -127.503
where: short stacking energy: -56.905
Base-Backbone interact. energy: -0.019
local terms energy: -56.421665
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -165.060995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.060995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.060995 (E_RNA)
where:
Base-Base interactions energy: -114.740
where: short stacking energy: -50.720
Base-Backbone interact. energy: 0.590
local terms energy: -50.910566
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -184.690432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.690432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.690432 (E_RNA)
where:
Base-Base interactions energy: -130.823
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.025
local terms energy: -53.842667
where:
bonds (distance) C4'-P energy: -6.976
bonds (distance) P-C4' energy: -9.570
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -180.507998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.507998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.507998 (E_RNA)
where:
Base-Base interactions energy: -123.306
where: short stacking energy: -53.125
Base-Backbone interact. energy: -0.292
local terms energy: -56.909307
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -159.626794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.626794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.626794 (E_RNA)
where:
Base-Base interactions energy: -109.398
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.023
local terms energy: -50.205862
where:
bonds (distance) C4'-P energy: -9.612
bonds (distance) P-C4' energy: -11.224
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -11.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -168.314360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.314360 (E_RNA)
where:
Base-Base interactions energy: -116.738
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.001
local terms energy: -51.575814
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -8.359
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -86.030043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030043 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.005
local terms energy: -46.666820
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -70.815838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.815838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.815838 (E_RNA)
where:
Base-Base interactions energy: -31.340
where: short stacking energy: -31.340
Base-Backbone interact. energy: -0.006
local terms energy: -39.469608
where:
bonds (distance) C4'-P energy: -7.444
bonds (distance) P-C4' energy: -9.408
flat angles C4'-P-C4' energy: -9.905
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -6.864
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: 8
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -90.526440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.526440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.526440 (E_RNA)
where:
Base-Base interactions energy: -55.548
where: short stacking energy: -23.918
Base-Backbone interact. energy: -0.189
local terms energy: -34.788794
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -9.258
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: 0.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -194.158312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.158312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.158312 (E_RNA)
where:
Base-Base interactions energy: -133.457
where: short stacking energy: -61.389
Base-Backbone interact. energy: -0.000
local terms energy: -60.701397
where:
bonds (distance) C4'-P energy: -7.961
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -185.395853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.395853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.395853 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -58.369
Base-Backbone interact. energy: -0.034
local terms energy: -57.726057
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -12.812
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: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -159.920018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.920018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.920018 (E_RNA)
where:
Base-Base interactions energy: -106.038
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.334
local terms energy: -53.548307
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -7.415
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -181.922887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.922887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.922887 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -58.544
Base-Backbone interact. energy: -0.012
local terms energy: -57.794375
where:
bonds (distance) C4'-P energy: -10.792
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -186.037864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.037864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.037864 (E_RNA)
where:
Base-Base interactions energy: -129.575
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.028
local terms energy: -56.434872
where:
bonds (distance) C4'-P energy: -8.831
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -14.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -176.573077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.573077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.573077 (E_RNA)
where:
Base-Base interactions energy: -122.071
where: short stacking energy: -57.659
Base-Backbone interact. energy: -0.001
local terms energy: -54.501158
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -10.197
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -15.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -151.973618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.973618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.973618 (E_RNA)
where:
Base-Base interactions energy: -105.604
where: short stacking energy: -41.508
Base-Backbone interact. energy: -0.116
local terms energy: -46.253394
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -79.127220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.127220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.127220 (E_RNA)
where:
Base-Base interactions energy: -29.765
where: short stacking energy: -27.331
Base-Backbone interact. energy: -0.235
local terms energy: -49.126849
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -5.479
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: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -77.498810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.498810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.498810 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.044
local terms energy: -42.339868
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -5.044
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: 10, replica: 8
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -141.061601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.061601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.061601 (E_RNA)
where:
Base-Base interactions energy: -90.871
where: short stacking energy: -35.639
Base-Backbone interact. energy: -0.051
local terms energy: -50.139873
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -8.276
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -13.622
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: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -187.018656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018656 (E_RNA)
where:
Base-Base interactions energy: -130.519
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.000
local terms energy: -56.499648
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -10.786
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -192.471569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.471569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.471569 (E_RNA)
where:
Base-Base interactions energy: -128.493
where: short stacking energy: -63.314
Base-Backbone interact. energy: 0.237
local terms energy: -64.215270
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -12.348
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -17.876
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: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -191.645014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.645014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.645014 (E_RNA)
where:
Base-Base interactions energy: -128.866
where: short stacking energy: -59.430
Base-Backbone interact. energy: -0.243
local terms energy: -62.536051
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -15.567
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: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -169.840720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.840720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.840720 (E_RNA)
where:
Base-Base interactions energy: -114.494
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.411
local terms energy: -54.935908
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -12.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -180.632315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632315 (E_RNA)
where:
Base-Base interactions energy: -123.463
where: short stacking energy: -55.298
Base-Backbone interact. energy: 0.140
local terms energy: -57.309409
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -179.052138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.052138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.052138 (E_RNA)
where:
Base-Base interactions energy: -124.187
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.460
local terms energy: -54.406074
where:
bonds (distance) C4'-P energy: -7.846
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -155.148270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.148270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.148270 (E_RNA)
where:
Base-Base interactions energy: -100.872
where: short stacking energy: -49.063
Base-Backbone interact. energy: 0.717
local terms energy: -54.992858
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -10.228
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: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -77.333853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.333853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.333853 (E_RNA)
where:
Base-Base interactions energy: -32.003
where: short stacking energy: -32.003
Base-Backbone interact. energy: -0.078
local terms energy: -45.252639
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -6.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -138.182832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.182832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.182832 (E_RNA)
where:
Base-Base interactions energy: -89.458
where: short stacking energy: -32.388
Base-Backbone interact. energy: -0.004
local terms energy: -48.720353
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -11.586
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: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -56.632311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.632311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.632311 (E_RNA)
where:
Base-Base interactions energy: -20.376
where: short stacking energy: -20.376
Base-Backbone interact. energy: -0.172
local terms energy: -36.084730
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -191.782873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.782873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.782873 (E_RNA)
where:
Base-Base interactions energy: -135.830
where: short stacking energy: -56.943
Base-Backbone interact. energy: -0.188
local terms energy: -55.764647
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -10.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -189.711118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.711118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.711118 (E_RNA)
where:
Base-Base interactions energy: -128.670
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.184
local terms energy: -60.856587
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -194.405611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.405611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.405611 (E_RNA)
where:
Base-Base interactions energy: -133.035
where: short stacking energy: -63.547
Base-Backbone interact. energy: -0.012
local terms energy: -61.358119
where:
bonds (distance) C4'-P energy: -8.708
bonds (distance) P-C4' energy: -12.889
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -183.982422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982422 (E_RNA)
where:
Base-Base interactions energy: -128.164
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.002
local terms energy: -55.816051
where:
bonds (distance) C4'-P energy: -7.643
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -8.539
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -157.691443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.691443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.691443 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -35.758
Base-Backbone interact. energy: -0.107
local terms energy: -50.897045
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -8.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -181.443553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.443553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.443553 (E_RNA)
where:
Base-Base interactions energy: -123.338
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.032
local terms energy: -58.074283
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -146.080026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.080026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.080026 (E_RNA)
where:
Base-Base interactions energy: -94.284
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.112
local terms energy: -51.684071
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -122.108835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.108835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.108835 (E_RNA)
where:
Base-Base interactions energy: -84.532
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.143
local terms energy: -37.434245
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -6.078
flat angles C4'-P-C4' energy: -9.185
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -78.257165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.257165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.257165 (E_RNA)
where:
Base-Base interactions energy: -31.865
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.000
local terms energy: -46.391807
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -6.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -65.888806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.888806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.888806 (E_RNA)
where:
Base-Base interactions energy: -20.114
where: short stacking energy: -20.114
Base-Backbone interact. energy: -0.108
local terms energy: -45.666176
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -192.300531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300531 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.000
local terms energy: -60.074852
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -195.199647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.199647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.199647 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -54.666
Base-Backbone interact. energy: -0.138
local terms energy: -53.710010
where:
bonds (distance) C4'-P energy: -12.184
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -10.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -191.681910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.681910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.681910 (E_RNA)
where:
Base-Base interactions energy: -134.749
where: short stacking energy: -62.539
Base-Backbone interact. energy: -0.000
local terms energy: -56.932676
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -15.241
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: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -181.538302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.538302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.538302 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -56.347
Base-Backbone interact. energy: -0.008
local terms energy: -52.711579
where:
bonds (distance) C4'-P energy: -7.659
bonds (distance) P-C4' energy: -7.589
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -16.161
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: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -182.946434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.946434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.946434 (E_RNA)
where:
Base-Base interactions energy: -133.594
where: short stacking energy: -53.156
Base-Backbone interact. energy: -0.036
local terms energy: -49.316234
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -9.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -155.383583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.383583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.383583 (E_RNA)
where:
Base-Base interactions energy: -111.606
where: short stacking energy: -48.288
Base-Backbone interact. energy: -0.001
local terms energy: -43.777129
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -7.036
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -1.827
tors. eta vs tors. theta energy: -13.984
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: 1
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -154.734751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.734751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.734751 (E_RNA)
where:
Base-Base interactions energy: -110.027
where: short stacking energy: -46.047
Base-Backbone interact. energy: -0.477
local terms energy: -44.229973
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -6.590
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -8.758
tors. eta vs tors. theta energy: -13.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -79.673052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.673052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.673052 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -29.390
Base-Backbone interact. energy: -0.376
local terms energy: -45.083191
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -5.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -83.077054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.077054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.077054 (E_RNA)
where:
Base-Base interactions energy: -35.549
where: short stacking energy: -35.549
Base-Backbone interact. energy: -0.073
local terms energy: -47.455557
where:
bonds (distance) C4'-P energy: -9.468
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -2.977
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -66.390334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.390334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.390334 (E_RNA)
where:
Base-Base interactions energy: -34.213
where: short stacking energy: -32.496
Base-Backbone interact. energy: -0.059
local terms energy: -32.117810
where:
bonds (distance) C4'-P energy: -4.803
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -5.780
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -190.588451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588451 (E_RNA)
where:
Base-Base interactions energy: -126.767
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.000
local terms energy: -63.821206
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -14.097
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: 9
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -192.871289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.871289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.871289 (E_RNA)
where:
Base-Base interactions energy: -136.421
where: short stacking energy: -56.767
Base-Backbone interact. energy: -0.113
local terms energy: -56.337725
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -186.355823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.355823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.355823 (E_RNA)
where:
Base-Base interactions energy: -127.478
where: short stacking energy: -54.600
Base-Backbone interact. energy: -0.004
local terms energy: -58.873198
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -13.454
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -181.314384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.314384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.314384 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.244
local terms energy: -54.188572
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -14.161
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: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -182.352648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.352648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.352648 (E_RNA)
where:
Base-Base interactions energy: -128.475
where: short stacking energy: -53.110
Base-Backbone interact. energy: 0.244
local terms energy: -54.121567
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -10.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -155.366259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.366259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.366259 (E_RNA)
where:
Base-Base interactions energy: -97.832
where: short stacking energy: -38.023
Base-Backbone interact. energy: -1.266
local terms energy: -56.268463
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -10.085
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: 7, replica: 4
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -158.540772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.540772 (E_RNA)
where:
Base-Base interactions energy: -105.459
where: short stacking energy: -45.643
Base-Backbone interact. energy: -1.184
local terms energy: -51.897596
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -12.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -71.045347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.045347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.045347 (E_RNA)
where:
Base-Base interactions energy: -32.050
where: short stacking energy: -32.050
Base-Backbone interact. energy: -0.115
local terms energy: -38.880296
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -6.945
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -0.201
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: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -70.315856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.315856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.315856 (E_RNA)
where:
Base-Base interactions energy: -30.065
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.475
local terms energy: -39.776197
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -8.689
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -63.790136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.790136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.790136 (E_RNA)
where:
Base-Base interactions energy: -18.570
where: short stacking energy: -16.423
Base-Backbone interact. energy: 0.080
local terms energy: -45.300946
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -8.493
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -3.152
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: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -196.445636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.445636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.445636 (E_RNA)
where:
Base-Base interactions energy: -137.045
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.306
local terms energy: -59.095089
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -10.453
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: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -193.162720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.162720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.162720 (E_RNA)
where:
Base-Base interactions energy: -128.122
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.024
local terms energy: -65.016865
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -190.272164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.272164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.272164 (E_RNA)
where:
Base-Base interactions energy: -126.058
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.237
local terms energy: -63.976913
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -182.333615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.333615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.333615 (E_RNA)
where:
Base-Base interactions energy: -123.297
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.027
local terms energy: -59.010211
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -185.478913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478913 (E_RNA)
where:
Base-Base interactions energy: -132.545
where: short stacking energy: -51.641
Base-Backbone interact. energy: 0.196
local terms energy: -53.129853
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -168.976334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.976334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.976334 (E_RNA)
where:
Base-Base interactions energy: -125.684
where: short stacking energy: -43.895
Base-Backbone interact. energy: 0.204
local terms energy: -43.496430
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -10.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -143.656997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.656997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.656997 (E_RNA)
where:
Base-Base interactions energy: -100.284
where: short stacking energy: -41.848
Base-Backbone interact. energy: 2.192
local terms energy: -45.564933
where:
bonds (distance) C4'-P energy: -7.987
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: -7.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -72.509711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.509711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.509711 (E_RNA)
where:
Base-Base interactions energy: -39.822
where: short stacking energy: -15.802
Base-Backbone interact. energy: -0.101
local terms energy: -32.586766
where:
bonds (distance) C4'-P energy: -7.498
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -9.862
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: 4.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -72.017455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.017455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.017455 (E_RNA)
where:
Base-Base interactions energy: -30.762
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.475
local terms energy: -40.779771
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -9.429
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -6.306
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: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -61.006466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.006466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.006466 (E_RNA)
where:
Base-Base interactions energy: -24.781
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.016
local terms energy: -36.209582
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -4.939
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -6.290
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: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -192.894821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.894821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.894821 (E_RNA)
where:
Base-Base interactions energy: -132.547
where: short stacking energy: -55.407
Base-Backbone interact. energy: -0.104
local terms energy: -60.243245
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -12.174
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: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -188.699093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.699093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.699093 (E_RNA)
where:
Base-Base interactions energy: -126.802
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.003
local terms energy: -61.894320
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -12.927
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: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -189.500696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.500696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.500696 (E_RNA)
where:
Base-Base interactions energy: -128.205
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.001
local terms energy: -61.294239
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -178.292873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.292873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.292873 (E_RNA)
where:
Base-Base interactions energy: -119.098
where: short stacking energy: -53.567
Base-Backbone interact. energy: -0.000
local terms energy: -59.194533
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -12.231
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: 61
Temperature: 1.100000
Total energy: -174.389845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.389845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.389845 (E_RNA)
where:
Base-Base interactions energy: -120.216
where: short stacking energy: -50.592
Base-Backbone interact. energy: 0.362
local terms energy: -54.535548
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -15.170
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -134.454630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.454630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.454630 (E_RNA)
where:
Base-Base interactions energy: -86.896
where: short stacking energy: -41.234
Base-Backbone interact. energy: -0.000
local terms energy: -47.558370
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -9.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -155.819112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.819112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.819112 (E_RNA)
where:
Base-Base interactions energy: -108.305
where: short stacking energy: -38.876
Base-Backbone interact. energy: -0.950
local terms energy: -46.564048
where:
bonds (distance) C4'-P energy: -7.587
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -7.083
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -8.832
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: 61
Temperature: 1.250000
Total energy: -70.729137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.729137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.729137 (E_RNA)
where:
Base-Base interactions energy: -26.025
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.122
local terms energy: -44.581408
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -6.267
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -72.249168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.249168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.249168 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -18.525
Base-Backbone interact. energy: -0.034
local terms energy: -35.915634
where:
bonds (distance) C4'-P energy: -8.921
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -6.041
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -70.681114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.681114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.681114 (E_RNA)
where:
Base-Base interactions energy: -38.155
where: short stacking energy: -31.573
Base-Backbone interact. energy: 1.523
local terms energy: -34.048401
where:
bonds (distance) C4'-P energy: -8.463
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -7.380
flat angles P-C4'-P energy: -4.460
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -198.407164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.407164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.407164 (E_RNA)
where:
Base-Base interactions energy: -142.653
where: short stacking energy: -54.193
Base-Backbone interact. energy: -0.452
local terms energy: -55.302221
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -9.136
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -11.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -198.682426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.682426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.682426 (E_RNA)
where:
Base-Base interactions energy: -136.067
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.893
local terms energy: -61.722676
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.311
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -185.925390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.925390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.925390 (E_RNA)
where:
Base-Base interactions energy: -131.654
where: short stacking energy: -59.784
Base-Backbone interact. energy: 0.277
local terms energy: -54.548628
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -190.719722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.719722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.719722 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.007
local terms energy: -56.005686
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -142.820668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.820668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.820668 (E_RNA)
where:
Base-Base interactions energy: -94.705
where: short stacking energy: -44.468
Base-Backbone interact. energy: -0.302
local terms energy: -47.813604
where:
bonds (distance) C4'-P energy: -7.254
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -9.162
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: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -178.249876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.249876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.249876 (E_RNA)
where:
Base-Base interactions energy: -119.621
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.003
local terms energy: -58.626523
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.861
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -144.955438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.955438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.955438 (E_RNA)
where:
Base-Base interactions energy: -88.336
where: short stacking energy: -32.802
Base-Backbone interact. energy: -1.077
local terms energy: -55.542351
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -66.561419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.561419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.561419 (E_RNA)
where:
Base-Base interactions energy: -28.502
where: short stacking energy: -26.985
Base-Backbone interact. energy: -0.004
local terms energy: -38.054957
where:
bonds (distance) C4'-P energy: -8.905
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -1.514
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: 62
Temperature: 1.300000
Total energy: -60.309696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.309696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.309696 (E_RNA)
where:
Base-Base interactions energy: -23.721
where: short stacking energy: -21.998
Base-Backbone interact. energy: -0.108
local terms energy: -36.480180
where:
bonds (distance) C4'-P energy: -7.617
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -1.087
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: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -70.280030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.280030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.280030 (E_RNA)
where:
Base-Base interactions energy: -24.671
where: short stacking energy: -21.327
Base-Backbone interact. energy: -1.046
local terms energy: -44.563255
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -5.455
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -186.337222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337222 (E_RNA)
where:
Base-Base interactions energy: -129.704
where: short stacking energy: -48.153
Base-Backbone interact. energy: -0.140
local terms energy: -56.493166
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -10.791
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -13.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -188.537540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.537540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.537540 (E_RNA)
where:
Base-Base interactions energy: -133.840
where: short stacking energy: -55.978
Base-Backbone interact. energy: -0.020
local terms energy: -54.678166
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -12.141
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -188.867573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.867573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.867573 (E_RNA)
where:
Base-Base interactions energy: -127.430
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.111
local terms energy: -61.326678
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -189.388151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.388151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.388151 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -61.020
Base-Backbone interact. energy: -0.295
local terms energy: -60.008221
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -15.858
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: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -143.774514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.774514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.774514 (E_RNA)
where:
Base-Base interactions energy: -100.386
where: short stacking energy: -42.558
Base-Backbone interact. energy: 0.557
local terms energy: -43.945787
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -7.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -173.012642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.012642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012642 (E_RNA)
where:
Base-Base interactions energy: -117.382
where: short stacking energy: -49.595
Base-Backbone interact. energy: -0.019
local terms energy: -55.611079
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -13.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -134.155905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.155905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.155905 (E_RNA)
where:
Base-Base interactions energy: -83.719
where: short stacking energy: -29.979
Base-Backbone interact. energy: -0.005
local terms energy: -50.432736
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -8.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -72.645831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.645831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.645831 (E_RNA)
where:
Base-Base interactions energy: -25.005
where: short stacking energy: -21.241
Base-Backbone interact. energy: -0.002
local terms energy: -47.638598
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -2.109
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: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -74.032679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.032679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.032679 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -34.564
Base-Backbone interact. energy: -0.070
local terms energy: -38.036771
where:
bonds (distance) C4'-P energy: -10.433
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -57.616582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.616582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.616582 (E_RNA)
where:
Base-Base interactions energy: -28.860
where: short stacking energy: -19.561
Base-Backbone interact. energy: -0.143
local terms energy: -28.613107
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -5.115
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -1.174
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -193.177565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.177565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.177565 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.000
local terms energy: -61.562495
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -8.893
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -194.180587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.180587 (E_RNA)
where:
Base-Base interactions energy: -135.118
where: short stacking energy: -53.823
Base-Backbone interact. energy: 1.238
local terms energy: -60.300269
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -191.499314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.499314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.499314 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.000
local terms energy: -60.115412
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -10.594
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -179.373151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.373151 (E_RNA)
where:
Base-Base interactions energy: -120.707
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.058
local terms energy: -58.608307
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -15.187
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -178.106317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.106317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.106317 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.144
local terms energy: -53.327085
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -11.643
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: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -162.339282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.339282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.339282 (E_RNA)
where:
Base-Base interactions energy: -104.988
where: short stacking energy: -50.069
Base-Backbone interact. energy: -0.690
local terms energy: -56.661577
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -94.259387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.259387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.259387 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -37.380
Base-Backbone interact. energy: -0.061
local terms energy: -53.738267
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -8.663
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: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -143.474816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.474816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.474816 (E_RNA)
where:
Base-Base interactions energy: -93.300
where: short stacking energy: -43.272
Base-Backbone interact. energy: -0.907
local terms energy: -49.268265
where:
bonds (distance) C4'-P energy: -9.480
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -11.283
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: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -70.972100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.972100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.972100 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -34.003
Base-Backbone interact. energy: -0.660
local terms energy: -37.080426
where:
bonds (distance) C4'-P energy: -5.999
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -5.148
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: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -61.997451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.997451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.997451 (E_RNA)
where:
Base-Base interactions energy: -27.454
where: short stacking energy: -27.454
Base-Backbone interact. energy: -0.001
local terms energy: -34.542621
where:
bonds (distance) C4'-P energy: -4.687
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -7.318
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -195.169308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.169308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.169308 (E_RNA)
where:
Base-Base interactions energy: -131.499
where: short stacking energy: -63.293
Base-Backbone interact. energy: -0.002
local terms energy: -63.668750
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -196.106181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.106181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.106181 (E_RNA)
where:
Base-Base interactions energy: -140.092
where: short stacking energy: -52.382
Base-Backbone interact. energy: -0.037
local terms energy: -55.976947
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -10.915
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: 3, replica: 5
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -186.787636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.787636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.787636 (E_RNA)
where:
Base-Base interactions energy: -133.891
where: short stacking energy: -58.150
Base-Backbone interact. energy: -0.137
local terms energy: -52.760082
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -11.606
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: 65
Temperature: 1.050000
Total energy: -186.529681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.529681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.529681 (E_RNA)
where:
Base-Base interactions energy: -130.067
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.195
local terms energy: -56.267622
where:
bonds (distance) C4'-P energy: -8.920
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -181.954871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.954871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.954871 (E_RNA)
where:
Base-Base interactions energy: -124.228
where: short stacking energy: -47.292
Base-Backbone interact. energy: -0.946
local terms energy: -56.781083
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -161.398643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.398643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.398643 (E_RNA)
where:
Base-Base interactions energy: -118.470
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.054
local terms energy: -42.875148
where:
bonds (distance) C4'-P energy: -4.066
bonds (distance) P-C4' energy: -10.378
flat angles C4'-P-C4' energy: -8.942
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -15.334
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: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -71.120062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.120062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.120062 (E_RNA)
where:
Base-Base interactions energy: -23.738
where: short stacking energy: -23.738
Base-Backbone interact. energy: -0.953
local terms energy: -46.429658
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -154.507175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.507175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.507175 (E_RNA)
where:
Base-Base interactions energy: -100.374
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.457
local terms energy: -53.675633
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -13.499
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: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -80.256546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.256546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.256546 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.001
local terms energy: -42.527441
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -8.141
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -68.611949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.611949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.611949 (E_RNA)
where:
Base-Base interactions energy: -25.624
where: short stacking energy: -15.097
Base-Backbone interact. energy: -0.589
local terms energy: -42.398908
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -1.893
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: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -194.815476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.815476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.815476 (E_RNA)
where:
Base-Base interactions energy: -138.131
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.230
local terms energy: -56.455054
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -11.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -194.199282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.199282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199282 (E_RNA)
where:
Base-Base interactions energy: -130.333
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.002
local terms energy: -63.864532
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -191.625627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.625627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.625627 (E_RNA)
where:
Base-Base interactions energy: -129.995
where: short stacking energy: -59.219
Base-Backbone interact. energy: -0.002
local terms energy: -61.628834
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -16.099
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: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -185.895233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.895233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.895233 (E_RNA)
where:
Base-Base interactions energy: -128.399
where: short stacking energy: -58.794
Base-Backbone interact. energy: -0.006
local terms energy: -57.490194
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -151.781264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.781264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.781264 (E_RNA)
where:
Base-Base interactions energy: -97.963
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.238
local terms energy: -53.580259
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -12.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -180.611898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.611898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.611898 (E_RNA)
where:
Base-Base interactions energy: -124.089
where: short stacking energy: -60.953
Base-Backbone interact. energy: -0.044
local terms energy: -56.479677
where:
bonds (distance) C4'-P energy: -7.047
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -15.795
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: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -140.757203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.757203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.757203 (E_RNA)
where:
Base-Base interactions energy: -88.595
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.003
local terms energy: -52.158396
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -72.852782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.852782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.852782 (E_RNA)
where:
Base-Base interactions energy: -34.873
where: short stacking energy: -34.873
Base-Backbone interact. energy: -0.044
local terms energy: -37.935367
where:
bonds (distance) C4'-P energy: -11.459
bonds (distance) P-C4' energy: -7.806
flat angles C4'-P-C4' energy: -7.797
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -88.323988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.323988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.323988 (E_RNA)
where:
Base-Base interactions energy: -48.230
where: short stacking energy: -22.036
Base-Backbone interact. energy: 2.358
local terms energy: -42.452025
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -2.290
tors. eta vs tors. theta energy: -5.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -69.993837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.993837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.993837 (E_RNA)
where:
Base-Base interactions energy: -39.725
where: short stacking energy: -13.657
Base-Backbone interact. energy: -0.201
local terms energy: -30.067770
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: 2.658
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: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -193.372124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.372124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.372124 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.121
local terms energy: -58.704869
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -189.635003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.635003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.635003 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -59.954
Base-Backbone interact. energy: -0.005
local terms energy: -60.981072
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -192.750854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.750854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.750854 (E_RNA)
where:
Base-Base interactions energy: -129.759
where: short stacking energy: -60.232
Base-Backbone interact. energy: -0.000
local terms energy: -62.991532
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -15.769
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: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -167.924582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.924582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.924582 (E_RNA)
where:
Base-Base interactions energy: -117.018
where: short stacking energy: -47.545
Base-Backbone interact. energy: -0.152
local terms energy: -50.754053
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -171.210528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.210528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.210528 (E_RNA)
where:
Base-Base interactions energy: -119.892
where: short stacking energy: -49.653
Base-Backbone interact. energy: -0.030
local terms energy: -51.288984
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -6.904
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -12.678
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: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -181.079977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.079977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.079977 (E_RNA)
where:
Base-Base interactions energy: -120.233
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.006
local terms energy: -60.841149
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -15.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -159.608856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.608856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.608856 (E_RNA)
where:
Base-Base interactions energy: -110.394
where: short stacking energy: -53.363
Base-Backbone interact. energy: -0.295
local terms energy: -48.919424
where:
bonds (distance) C4'-P energy: -10.437
bonds (distance) P-C4' energy: -7.535
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -12.593
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: 67
Temperature: 1.250000
Total energy: -72.330085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.330085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.330085 (E_RNA)
where:
Base-Base interactions energy: -33.485
where: short stacking energy: -27.973
Base-Backbone interact. energy: 0.318
local terms energy: -39.162855
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -2.676
tors. eta vs tors. theta energy: -2.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -66.622168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.622168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.622168 (E_RNA)
where:
Base-Base interactions energy: -22.898
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.055
local terms energy: -43.668376
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.117
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -2.207
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: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -69.098478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.098478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.098478 (E_RNA)
where:
Base-Base interactions energy: -36.058
where: short stacking energy: -22.001
Base-Backbone interact. energy: -0.286
local terms energy: -32.754972
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -8.640
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: 2.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -190.990683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.990683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.990683 (E_RNA)
where:
Base-Base interactions energy: -131.418
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.638
local terms energy: -58.934846
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -12.563
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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -194.456524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.456524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456524 (E_RNA)
where:
Base-Base interactions energy: -133.831
where: short stacking energy: -52.137
Base-Backbone interact. energy: -0.068
local terms energy: -60.557322
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -186.299873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.299873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.299873 (E_RNA)
where:
Base-Base interactions energy: -126.208
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.022
local terms energy: -60.069681
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -14.472
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: 4
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -168.077238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.077238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.077238 (E_RNA)
where:
Base-Base interactions energy: -110.680
where: short stacking energy: -54.532
Base-Backbone interact. energy: -1.528
local terms energy: -55.869704
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -189.879085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.879085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.879085 (E_RNA)
where:
Base-Base interactions energy: -131.235
where: short stacking energy: -58.842
Base-Backbone interact. energy: -0.001
local terms energy: -58.642567
where:
bonds (distance) C4'-P energy: -9.293
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -181.558682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.558682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.558682 (E_RNA)
where:
Base-Base interactions energy: -124.473
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.002
local terms energy: -57.083103
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -151.845521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.845521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.845521 (E_RNA)
where:
Base-Base interactions energy: -102.943
where: short stacking energy: -47.148
Base-Backbone interact. energy: -0.001
local terms energy: -48.900813
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -9.436
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -11.768
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: 68
Temperature: 1.250000
Total energy: -99.333657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.333657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.333657 (E_RNA)
where:
Base-Base interactions energy: -60.833
where: short stacking energy: -24.706
Base-Backbone interact. energy: -0.423
local terms energy: -38.077920
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -55.142329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -55.142329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -55.142329 (E_RNA)
where:
Base-Base interactions energy: -16.513
where: short stacking energy: -16.513
Base-Backbone interact. energy: -0.078
local terms energy: -38.551070
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -7.513
flat angles C4'-P-C4' energy: -10.230
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -74.156517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.156517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.156517 (E_RNA)
where:
Base-Base interactions energy: -32.539
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.032
local terms energy: -41.585372
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -191.754898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.754898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.754898 (E_RNA)
where:
Base-Base interactions energy: -130.880
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.001
local terms energy: -60.873896
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -16.493
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -193.556526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.556526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.556526 (E_RNA)
where:
Base-Base interactions energy: -130.506
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.009
local terms energy: -63.041984
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -189.926602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.926602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.926602 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -55.128
Base-Backbone interact. energy: 0.405
local terms energy: -60.099997
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -14.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -178.923040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.923040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.923040 (E_RNA)
where:
Base-Base interactions energy: -126.611
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.007
local terms energy: -52.305271
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -167.944869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.944869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.944869 (E_RNA)
where:
Base-Base interactions energy: -107.194
where: short stacking energy: -47.443
Base-Backbone interact. energy: -0.004
local terms energy: -60.746128
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -12.128
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -13.738
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: 5
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -177.558843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.558843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.558843 (E_RNA)
where:
Base-Base interactions energy: -122.116
where: short stacking energy: -54.062
Base-Backbone interact. energy: -0.065
local terms energy: -55.377934
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -150.014546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.014546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.014546 (E_RNA)
where:
Base-Base interactions energy: -98.624
where: short stacking energy: -40.102
Base-Backbone interact. energy: -0.103
local terms energy: -51.287330
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -13.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -91.362076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.362076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.362076 (E_RNA)
where:
Base-Base interactions energy: -52.020
where: short stacking energy: -25.588
Base-Backbone interact. energy: -0.219
local terms energy: -39.123194
where:
bonds (distance) C4'-P energy: -9.301
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -8.228
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -98.203078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203078 (E_RNA)
where:
Base-Base interactions energy: -61.371
where: short stacking energy: -30.773
Base-Backbone interact. energy: -0.269
local terms energy: -36.563075
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -2.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -75.765627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.765627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.765627 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -19.091
Base-Backbone interact. energy: -0.008
local terms energy: -43.693781
where:
bonds (distance) C4'-P energy: -10.478
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -8.656
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -5.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -192.544293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.544293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.544293 (E_RNA)
where:
Base-Base interactions energy: -132.250
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.189
local terms energy: -60.104517
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -15.473
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: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -194.381041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.381041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.381041 (E_RNA)
where:
Base-Base interactions energy: -129.010
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.047
local terms energy: -65.323398
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -15.339
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: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -187.155507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.155507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.155507 (E_RNA)
where:
Base-Base interactions energy: -126.620
where: short stacking energy: -54.944
Base-Backbone interact. energy: -0.262
local terms energy: -60.273874
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -13.953
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: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -179.639817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.639817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.639817 (E_RNA)
where:
Base-Base interactions energy: -127.549
where: short stacking energy: -50.601
Base-Backbone interact. energy: -0.426
local terms energy: -51.665671
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -10.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -182.430913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.430913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.430913 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.004
local terms energy: -56.098605
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -156.262201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.262201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.262201 (E_RNA)
where:
Base-Base interactions energy: -106.508
where: short stacking energy: -47.528
Base-Backbone interact. energy: -0.478
local terms energy: -49.275947
where:
bonds (distance) C4'-P energy: -6.724
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -12.637
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: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -161.749367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.749367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.749367 (E_RNA)
where:
Base-Base interactions energy: -104.310
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.022
local terms energy: -57.416519
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -12.827
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -98.716635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.716635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.716635 (E_RNA)
where:
Base-Base interactions energy: -52.250
where: short stacking energy: -33.449
Base-Backbone interact. energy: -0.025
local terms energy: -46.441096
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -8.838
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -5.116
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: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -84.642645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.642645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.642645 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -23.143
Base-Backbone interact. energy: -0.102
local terms energy: -37.681729
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -4.032
tors. eta vs tors. theta energy: 1.452
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: 8
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -101.651675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.651675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.651675 (E_RNA)
where:
Base-Base interactions energy: -63.940
where: short stacking energy: -30.316
Base-Backbone interact. energy: -0.066
local terms energy: -37.645467
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -8.973
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -1.148
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: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -190.485715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.485715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.485715 (E_RNA)
where:
Base-Base interactions energy: -133.493
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.028
local terms energy: -56.964617
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -195.325414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.325414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.325414 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.010
local terms energy: -60.530380
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -15.389
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: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -188.598482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.598482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.598482 (E_RNA)
where:
Base-Base interactions energy: -129.691
where: short stacking energy: -61.889
Base-Backbone interact. energy: -0.009
local terms energy: -58.898110
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -14.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -190.247448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.247448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.247448 (E_RNA)
where:
Base-Base interactions energy: -128.987
where: short stacking energy: -60.964
Base-Backbone interact. energy: -0.038
local terms energy: -61.221855
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -170.289434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.289434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.289434 (E_RNA)
where:
Base-Base interactions energy: -115.407
where: short stacking energy: -51.886
Base-Backbone interact. energy: -0.002
local terms energy: -54.880607
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -10.195
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: 6, replica: 1
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -159.281117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.281117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.281117 (E_RNA)
where:
Base-Base interactions energy: -114.711
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.008
local terms energy: -44.562623
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -7.605
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -10.172
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: 4
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -155.150731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.150731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.150731 (E_RNA)
where:
Base-Base interactions energy: -109.700
where: short stacking energy: -52.039
Base-Backbone interact. energy: -0.318
local terms energy: -45.132595
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -5.971
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -15.530
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: 71
Temperature: 1.250000
Total energy: -74.663838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.663838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.663838 (E_RNA)
where:
Base-Base interactions energy: -33.177
where: short stacking energy: -33.177
Base-Backbone interact. energy: -0.006
local terms energy: -41.480977
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -8.152
flat angles C4'-P-C4' energy: -6.951
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -7.232
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: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -73.107979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.107979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.107979 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.219
local terms energy: -44.005640
where:
bonds (distance) C4'-P energy: -7.215
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -69.108074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.108074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.108074 (E_RNA)
where:
Base-Base interactions energy: -29.708
where: short stacking energy: -29.708
Base-Backbone interact. energy: -0.016
local terms energy: -39.383307
where:
bonds (distance) C4'-P energy: -9.010
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: 3.244
tors. eta vs tors. theta energy: -6.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -191.126530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.126530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.126530 (E_RNA)
where:
Base-Base interactions energy: -131.246
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.012
local terms energy: -59.868143
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -190.675717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.675717 (E_RNA)
where:
Base-Base interactions energy: -132.956
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.007
local terms energy: -57.713424
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -188.854533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.854533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.854533 (E_RNA)
where:
Base-Base interactions energy: -127.155
where: short stacking energy: -59.750
Base-Backbone interact. energy: -0.000
local terms energy: -61.699381
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -15.720
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: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -187.780303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.780303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.780303 (E_RNA)
where:
Base-Base interactions energy: -132.044
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.010
local terms energy: -55.726686
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.306
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -173.191811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.191811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.191811 (E_RNA)
where:
Base-Base interactions energy: -121.312
where: short stacking energy: -54.104
Base-Backbone interact. energy: -0.003
local terms energy: -51.876184
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -154.682065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.682065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.682065 (E_RNA)
where:
Base-Base interactions energy: -103.121
where: short stacking energy: -49.555
Base-Backbone interact. energy: -0.006
local terms energy: -51.555659
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -8.705
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -12.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -149.827239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.827239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.827239 (E_RNA)
where:
Base-Base interactions energy: -93.991
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.419
local terms energy: -55.417089
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -12.708
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: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -76.016614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.016614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.016614 (E_RNA)
where:
Base-Base interactions energy: -35.219
where: short stacking energy: -30.413
Base-Backbone interact. energy: -0.231
local terms energy: -40.566407
where:
bonds (distance) C4'-P energy: -6.109
bonds (distance) P-C4' energy: -11.401
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -5.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -64.561825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.561825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.561825 (E_RNA)
where:
Base-Base interactions energy: -32.640
where: short stacking energy: -27.420
Base-Backbone interact. energy: -0.107
local terms energy: -31.814254
where:
bonds (distance) C4'-P energy: -5.017
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -3.419
tors. eta vs tors. theta energy: -4.560
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: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -70.258419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.258419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.258419 (E_RNA)
where:
Base-Base interactions energy: -39.417
where: short stacking energy: -19.977
Base-Backbone interact. energy: -0.283
local terms energy: -30.558331
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -8.541
flat angles C4'-P-C4' energy: -7.857
flat angles P-C4'-P energy: -3.296
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -192.283484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.283484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.283484 (E_RNA)
where:
Base-Base interactions energy: -134.238
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.019
local terms energy: -58.026034
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -7.531
tors. eta vs tors. theta energy: -15.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -193.859429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.859429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.859429 (E_RNA)
where:
Base-Base interactions energy: -135.109
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.041
local terms energy: -58.709331
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -186.575236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.575236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.575236 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.014
local terms energy: -58.773503
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -12.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -190.365663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.365663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.365663 (E_RNA)
where:
Base-Base interactions energy: -132.139
where: short stacking energy: -53.525
Base-Backbone interact. energy: -1.063
local terms energy: -57.163771
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -13.956
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: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -185.282109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.282109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.282109 (E_RNA)
where:
Base-Base interactions energy: -127.460
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.028
local terms energy: -57.793530
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -167.809523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.809523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.809523 (E_RNA)
where:
Base-Base interactions energy: -113.185
where: short stacking energy: -47.894
Base-Backbone interact. energy: -0.006
local terms energy: -54.618751
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -7.977
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -153.888388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.888388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.888388 (E_RNA)
where:
Base-Base interactions energy: -100.631
where: short stacking energy: -43.692
Base-Backbone interact. energy: -0.172
local terms energy: -53.085248
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -10.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -89.333751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.333751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.333751 (E_RNA)
where:
Base-Base interactions energy: -46.077
where: short stacking energy: -34.724
Base-Backbone interact. energy: 0.486
local terms energy: -43.742369
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -7.698
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -3.830
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: 73
Temperature: 1.300000
Total energy: -69.195253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.195253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.195253 (E_RNA)
where:
Base-Base interactions energy: -27.468
where: short stacking energy: -25.843
Base-Backbone interact. energy: -0.579
local terms energy: -41.148792
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -7.566
flat angles C4'-P-C4' energy: -7.037
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -10.101
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: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -61.556507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.556507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.556507 (E_RNA)
where:
Base-Base interactions energy: -20.383
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.668
local terms energy: -40.505531
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -189.844742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.844742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.844742 (E_RNA)
where:
Base-Base interactions energy: -131.065
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.007
local terms energy: -58.772367
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -15.909
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: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -183.268745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.268745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.268745 (E_RNA)
where:
Base-Base interactions energy: -122.996
where: short stacking energy: -55.108
Base-Backbone interact. energy: -0.069
local terms energy: -60.204399
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -187.829167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.829167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.829167 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.111
local terms energy: -58.723000
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -14.928
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: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -186.694770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694770 (E_RNA)
where:
Base-Base interactions energy: -128.336
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.005
local terms energy: -58.353482
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -13.189
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: 74
Temperature: 1.100000
Total energy: -177.467914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.467914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.467914 (E_RNA)
where:
Base-Base interactions energy: -130.226
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.011
local terms energy: -47.230443
where:
bonds (distance) C4'-P energy: -7.253
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -6.924
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -12.041
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: 6, replica: 4
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -152.587817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.587817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.587817 (E_RNA)
where:
Base-Base interactions energy: -104.476
where: short stacking energy: -47.112
Base-Backbone interact. energy: -0.537
local terms energy: -47.575164
where:
bonds (distance) C4'-P energy: -6.632
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -10.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -151.124384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.124384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.124384 (E_RNA)
where:
Base-Base interactions energy: -100.806
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.074
local terms energy: -50.244593
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -10.365
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: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -101.751701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.751701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.751701 (E_RNA)
where:
Base-Base interactions energy: -54.812
where: short stacking energy: -31.437
Base-Backbone interact. energy: -0.025
local terms energy: -46.915012
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -92.229658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229658 (E_RNA)
where:
Base-Base interactions energy: -53.846
where: short stacking energy: -27.217
Base-Backbone interact. energy: -0.661
local terms energy: -37.722473
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: 1.278
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: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -67.383792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.383792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.383792 (E_RNA)
where:
Base-Base interactions energy: -27.103
where: short stacking energy: -28.203
Base-Backbone interact. energy: -0.103
local terms energy: -40.177657
where:
bonds (distance) C4'-P energy: -6.930
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -2.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -194.479901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479901 (E_RNA)
where:
Base-Base interactions energy: -134.906
where: short stacking energy: -62.339
Base-Backbone interact. energy: -0.001
local terms energy: -59.573509
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -17.568
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: 9
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -187.462214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.462214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.462214 (E_RNA)
where:
Base-Base interactions energy: -129.266
where: short stacking energy: -51.956
Base-Backbone interact. energy: -0.077
local terms energy: -58.118575
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -11.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -191.989279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.989279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.989279 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.013
local terms energy: -60.689459
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -189.482009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.482009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.482009 (E_RNA)
where:
Base-Base interactions energy: -126.581
where: short stacking energy: -55.900
Base-Backbone interact. energy: 0.053
local terms energy: -62.954471
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -15.267
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: 75
Temperature: 1.100000
Total energy: -178.400697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.400697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.400697 (E_RNA)
where:
Base-Base interactions energy: -124.310
where: short stacking energy: -58.364
Base-Backbone interact. energy: 0.035
local terms energy: -54.126123
where:
bonds (distance) C4'-P energy: -5.796
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -15.801
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: 1
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -164.191993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.191993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.191993 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.794
local terms energy: -50.693450
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -8.266
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.361
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -151.835910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.835910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.835910 (E_RNA)
where:
Base-Base interactions energy: -102.872
where: short stacking energy: -39.784
Base-Backbone interact. energy: -0.966
local terms energy: -47.997999
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -10.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -120.256046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.256046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.256046 (E_RNA)
where:
Base-Base interactions energy: -72.282
where: short stacking energy: -38.126
Base-Backbone interact. energy: -0.008
local terms energy: -47.965760
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -156.572051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.572051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.572051 (E_RNA)
where:
Base-Base interactions energy: -110.750
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.353
local terms energy: -45.468804
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -76.503634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.503634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.503634 (E_RNA)
where:
Base-Base interactions energy: -29.246
where: short stacking energy: -29.246
Base-Backbone interact. energy: -0.106
local terms energy: -47.151618
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -7.241
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -5.739
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: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -197.752389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.752389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.752389 (E_RNA)
where:
Base-Base interactions energy: -135.559
where: short stacking energy: -63.924
Base-Backbone interact. energy: -0.010
local terms energy: -62.183274
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -12.579
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -16.391
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: 9
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -194.954753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.954753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.954753 (E_RNA)
where:
Base-Base interactions energy: -138.092
where: short stacking energy: -51.002
Base-Backbone interact. energy: -0.199
local terms energy: -56.664020
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -188.389539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.389539 (E_RNA)
where:
Base-Base interactions energy: -132.926
where: short stacking energy: -62.988
Base-Backbone interact. energy: -0.048
local terms energy: -55.415338
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -10.299
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -16.951
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: 6
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -191.801700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.801700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.801700 (E_RNA)
where:
Base-Base interactions energy: -130.383
where: short stacking energy: -60.932
Base-Backbone interact. energy: -0.022
local terms energy: -61.396575
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -162.011512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.011512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.011512 (E_RNA)
where:
Base-Base interactions energy: -112.608
where: short stacking energy: -49.669
Base-Backbone interact. energy: -0.499
local terms energy: -48.904931
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -8.311
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -13.970
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: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -177.862592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.862592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.862592 (E_RNA)
where:
Base-Base interactions energy: -128.613
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.018
local terms energy: -49.231473
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -9.146
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -153.905094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.905094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.905094 (E_RNA)
where:
Base-Base interactions energy: -103.500
where: short stacking energy: -47.130
Base-Backbone interact. energy: -0.119
local terms energy: -50.286026
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.094
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -117.294594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.294594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.294594 (E_RNA)
where:
Base-Base interactions energy: -71.650
where: short stacking energy: -33.068
Base-Backbone interact. energy: 0.359
local terms energy: -46.004219
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -5.327
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: 9, replica: 7
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -164.809317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.809317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.809317 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -49.964
Base-Backbone interact. energy: -0.120
local terms energy: -49.339314
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -8.943
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -6.449
tors. eta vs tors. theta energy: -11.654
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: 76
Temperature: 1.350000
Total energy: -70.942390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.942390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.942390 (E_RNA)
where:
Base-Base interactions energy: -28.550
where: short stacking energy: -28.550
Base-Backbone interact. energy: -0.005
local terms energy: -42.388056
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -8.231
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -192.155105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.155105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.155105 (E_RNA)
where:
Base-Base interactions energy: -130.617
where: short stacking energy: -62.354
Base-Backbone interact. energy: -0.081
local terms energy: -61.456835
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -13.715
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: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -197.332184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.332184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.332184 (E_RNA)
where:
Base-Base interactions energy: -134.766
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.162
local terms energy: -62.403308
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -16.381
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: 9
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -188.006961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.006961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.006961 (E_RNA)
where:
Base-Base interactions energy: -131.655
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.005
local terms energy: -56.347219
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -164.095414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.095414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.095414 (E_RNA)
where:
Base-Base interactions energy: -107.012
where: short stacking energy: -46.982
Base-Backbone interact. energy: -0.269
local terms energy: -56.814526
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -183.629759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.629759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.629759 (E_RNA)
where:
Base-Base interactions energy: -123.075
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.015
local terms energy: -60.540445
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -168.571812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.571812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.571812 (E_RNA)
where:
Base-Base interactions energy: -118.995
where: short stacking energy: -56.102
Base-Backbone interact. energy: -0.038
local terms energy: -49.538669
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -178.332190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.332190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.332190 (E_RNA)
where:
Base-Base interactions energy: -117.477
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.001
local terms energy: -60.854290
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -175.135156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.135156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.135156 (E_RNA)
where:
Base-Base interactions energy: -120.168
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.031
local terms energy: -54.936265
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -9.526
flat angles C4'-P-C4' energy: -11.217
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -11.800
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: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -158.850660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.850660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.850660 (E_RNA)
where:
Base-Base interactions energy: -109.756
where: short stacking energy: -44.937
Base-Backbone interact. energy: -0.205
local terms energy: -48.890324
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -65.193738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.193738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.193738 (E_RNA)
where:
Base-Base interactions energy: -22.037
where: short stacking energy: -22.037
Base-Backbone interact. energy: -0.101
local terms energy: -43.055950
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -2.657
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -199.438974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.438974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.438974 (E_RNA)
where:
Base-Base interactions energy: -138.182
where: short stacking energy: -58.976
Base-Backbone interact. energy: 0.007
local terms energy: -61.264260
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -16.222
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: 3
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -189.821575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.821575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.821575 (E_RNA)
where:
Base-Base interactions energy: -128.895
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.481
local terms energy: -60.445781
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -16.857
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: 9
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -183.598561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.598561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.598561 (E_RNA)
where:
Base-Base interactions energy: -128.256
where: short stacking energy: -60.672
Base-Backbone interact. energy: -0.004
local terms energy: -55.337914
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -8.595
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -15.809
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: 4, replica: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -158.758831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.758831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.758831 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -45.629
Base-Backbone interact. energy: -0.562
local terms energy: -41.471183
where:
bonds (distance) C4'-P energy: -7.957
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -168.253441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.253441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.253441 (E_RNA)
where:
Base-Base interactions energy: -109.370
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.522
local terms energy: -58.361591
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.240
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -12.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -173.524363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.524363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.524363 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -53.627
Base-Backbone interact. energy: -0.001
local terms energy: -51.493844
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -174.955604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.955604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.955604 (E_RNA)
where:
Base-Base interactions energy: -124.549
where: short stacking energy: -55.822
Base-Backbone interact. energy: -0.135
local terms energy: -50.271934
where:
bonds (distance) C4'-P energy: -8.132
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -11.711
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: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -177.064473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.064473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.064473 (E_RNA)
where:
Base-Base interactions energy: -117.113
where: short stacking energy: -46.797
Base-Backbone interact. energy: -0.000
local terms energy: -59.950735
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -14.479
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: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -176.794741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.794741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.794741 (E_RNA)
where:
Base-Base interactions energy: -126.731
where: short stacking energy: -58.634
Base-Backbone interact. energy: -0.514
local terms energy: -49.548932
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -9.843
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -15.252
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: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -66.510515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.510515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.510515 (E_RNA)
where:
Base-Base interactions energy: -28.589
where: short stacking energy: -23.114
Base-Backbone interact. energy: -1.252
local terms energy: -36.669328
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -3.991
tors. eta vs tors. theta energy: -2.879
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -186.083992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.083992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.083992 (E_RNA)
where:
Base-Base interactions energy: -129.717
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.140
local terms energy: -56.226850
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -15.264
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: 2, replica: 9
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -182.874093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.874093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.874093 (E_RNA)
where:
Base-Base interactions energy: -122.233
where: short stacking energy: -55.138
Base-Backbone interact. energy: 0.168
local terms energy: -60.809085
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -14.007
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: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -186.499542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.499542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.499542 (E_RNA)
where:
Base-Base interactions energy: -124.226
where: short stacking energy: -51.953
Base-Backbone interact. energy: 0.416
local terms energy: -62.689427
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -159.368450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.368450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.368450 (E_RNA)
where:
Base-Base interactions energy: -105.165
where: short stacking energy: -43.344
Base-Backbone interact. energy: -1.292
local terms energy: -52.910790
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -158.422849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.422849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.422849 (E_RNA)
where:
Base-Base interactions energy: -104.818
where: short stacking energy: -44.046
Base-Backbone interact. energy: -1.193
local terms energy: -52.411589
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -8.229
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -9.508
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: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -173.186553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.186553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.186553 (E_RNA)
where:
Base-Base interactions energy: -124.890
where: short stacking energy: -58.209
Base-Backbone interact. energy: -0.009
local terms energy: -48.287450
where:
bonds (distance) C4'-P energy: -7.410
bonds (distance) P-C4' energy: -9.114
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -12.952
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: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -167.528818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.528818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.528818 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -53.413
Base-Backbone interact. energy: -0.573
local terms energy: -50.880220
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -9.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -171.550689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.550689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.550689 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -49.889
Base-Backbone interact. energy: -0.173
local terms energy: -53.926469
where:
bonds (distance) C4'-P energy: -9.091
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -11.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -166.687081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.687081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.687081 (E_RNA)
where:
Base-Base interactions energy: -120.223
where: short stacking energy: -53.095
Base-Backbone interact. energy: -0.063
local terms energy: -46.400968
where:
bonds (distance) C4'-P energy: -12.428
bonds (distance) P-C4' energy: -6.136
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -7.431
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: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -68.177587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.177587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.177587 (E_RNA)
where:
Base-Base interactions energy: -29.096
where: short stacking energy: -29.096
Base-Backbone interact. energy: -0.202
local terms energy: -38.879484
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -2.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -187.857522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.857522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.857522 (E_RNA)
where:
Base-Base interactions energy: -127.875
where: short stacking energy: -57.390
Base-Backbone interact. energy: 0.460
local terms energy: -60.442547
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -14.044
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: 9
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -190.810406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.810406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.810406 (E_RNA)
where:
Base-Base interactions energy: -128.646
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.827
local terms energy: -61.338113
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -163.423348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.423348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.423348 (E_RNA)
where:
Base-Base interactions energy: -111.836
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.050
local terms energy: -51.536987
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -14.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -190.342056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.342056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.342056 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -59.919
Base-Backbone interact. energy: -0.240
local terms energy: -61.037921
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -15.115
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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -184.120947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.120947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.120947 (E_RNA)
where:
Base-Base interactions energy: -123.849
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.025
local terms energy: -60.246873
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -16.251
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: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -164.279059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.279059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.279059 (E_RNA)
where:
Base-Base interactions energy: -110.695
where: short stacking energy: -46.612
Base-Backbone interact. energy: -0.040
local terms energy: -53.544125
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -181.400351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.400351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.400351 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.175
local terms energy: -56.781353
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.727
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: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -173.072066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.072066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.072066 (E_RNA)
where:
Base-Base interactions energy: -123.599
where: short stacking energy: -49.145
Base-Backbone interact. energy: -0.195
local terms energy: -49.277861
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -12.474
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: 5
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -165.985528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.985528 (E_RNA)
where:
Base-Base interactions energy: -114.982
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.416
local terms energy: -50.587911
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -88.902143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.902143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.902143 (E_RNA)
where:
Base-Base interactions energy: -46.979
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.184
local terms energy: -41.739098
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -9.641
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -1.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -194.101545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.101545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.101545 (E_RNA)
where:
Base-Base interactions energy: -136.543
where: short stacking energy: -59.585
Base-Backbone interact. energy: 0.721
local terms energy: -58.279828
where:
bonds (distance) C4'-P energy: -7.415
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -191.695725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.695725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.695725 (E_RNA)
where:
Base-Base interactions energy: -126.992
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.079
local terms energy: -64.624970
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -163.084373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084373 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -46.296
Base-Backbone interact. energy: -0.484
local terms energy: -39.996902
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -6.783
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -7.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -185.510990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.510990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.510990 (E_RNA)
where:
Base-Base interactions energy: -123.506
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.351
local terms energy: -61.653630
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -14.081
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: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -184.993856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.993856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.993856 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -58.276
Base-Backbone interact. energy: -0.001
local terms energy: -56.801457
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -170.255732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.255732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.255732 (E_RNA)
where:
Base-Base interactions energy: -119.657
where: short stacking energy: -50.746
Base-Backbone interact. energy: -0.051
local terms energy: -50.547623
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -12.247
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: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -149.175016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.175016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.175016 (E_RNA)
where:
Base-Base interactions energy: -108.294
where: short stacking energy: -38.238
Base-Backbone interact. energy: -0.257
local terms energy: -40.623651
where:
bonds (distance) C4'-P energy: -6.426
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -167.674310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.674310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.674310 (E_RNA)
where:
Base-Base interactions energy: -113.876
where: short stacking energy: -48.204
Base-Backbone interact. energy: -0.016
local terms energy: -53.782438
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -10.606
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: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -170.640916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.640916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.640916 (E_RNA)
where:
Base-Base interactions energy: -115.548
where: short stacking energy: -47.067
Base-Backbone interact. energy: 0.007
local terms energy: -55.100282
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -14.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -73.583809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.583809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.583809 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.007
local terms energy: -45.754329
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -4.264
tors. eta vs tors. theta energy: -7.074
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: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -190.530712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.530712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.530712 (E_RNA)
where:
Base-Base interactions energy: -130.473
where: short stacking energy: -60.567
Base-Backbone interact. energy: -0.019
local terms energy: -60.037868
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -194.323095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.323095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.323095 (E_RNA)
where:
Base-Base interactions energy: -135.844
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.039
local terms energy: -58.439949
where:
bonds (distance) C4'-P energy: -8.337
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -16.382
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: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -186.690041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.690041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.690041 (E_RNA)
where:
Base-Base interactions energy: -129.995
where: short stacking energy: -51.870
Base-Backbone interact. energy: -0.166
local terms energy: -56.529279
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -9.912
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -165.922746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.922746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.922746 (E_RNA)
where:
Base-Base interactions energy: -112.309
where: short stacking energy: -51.130
Base-Backbone interact. energy: -0.001
local terms energy: -53.613247
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -169.741426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.741426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.741426 (E_RNA)
where:
Base-Base interactions energy: -114.622
where: short stacking energy: -48.935
Base-Backbone interact. energy: -0.224
local terms energy: -54.894831
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -12.377
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: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -181.708326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.708326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.708326 (E_RNA)
where:
Base-Base interactions energy: -123.296
where: short stacking energy: -54.259
Base-Backbone interact. energy: -0.002
local terms energy: -58.410707
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -168.856272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.856272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.856272 (E_RNA)
where:
Base-Base interactions energy: -117.137
where: short stacking energy: -50.494
Base-Backbone interact. energy: 2.675
local terms energy: -54.394971
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -13.623
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: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -157.790805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.790805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.790805 (E_RNA)
where:
Base-Base interactions energy: -105.968
where: short stacking energy: -46.573
Base-Backbone interact. energy: -0.131
local terms energy: -51.692011
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -11.629
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: 82
Temperature: 1.300000
Total energy: -70.450190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.450190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.450190 (E_RNA)
where:
Base-Base interactions energy: -40.018
where: short stacking energy: -12.757
Base-Backbone interact. energy: 2.305
local terms energy: -32.737780
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: 1.691
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -169.005331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.005331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.005331 (E_RNA)
where:
Base-Base interactions energy: -116.668
where: short stacking energy: -50.140
Base-Backbone interact. energy: 0.509
local terms energy: -52.846242
where:
bonds (distance) C4'-P energy: -7.598
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -192.301365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.301365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.301365 (E_RNA)
where:
Base-Base interactions energy: -125.402
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.007
local terms energy: -66.892909
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -17.461
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: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -190.050656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.050656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.050656 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -51.548
Base-Backbone interact. energy: -0.070
local terms energy: -58.144069
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -13.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -186.427575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.427575 (E_RNA)
where:
Base-Base interactions energy: -124.688
where: short stacking energy: -56.640
Base-Backbone interact. energy: -0.229
local terms energy: -61.510738
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -185.163205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.163205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.163205 (E_RNA)
where:
Base-Base interactions energy: -134.343
where: short stacking energy: -51.015
Base-Backbone interact. energy: -0.125
local terms energy: -50.695378
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -6.314
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -11.841
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: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -155.995990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.995990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.995990 (E_RNA)
where:
Base-Base interactions energy: -103.277
where: short stacking energy: -36.661
Base-Backbone interact. energy: -0.001
local terms energy: -52.717703
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -9.491
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: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -181.382823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.382823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.382823 (E_RNA)
where:
Base-Base interactions energy: -122.736
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.015
local terms energy: -58.631159
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -17.555
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: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -177.919085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.919085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.919085 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.033
local terms energy: -56.454967
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -12.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -134.031132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.031132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.031132 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -44.367
Base-Backbone interact. energy: -0.093
local terms energy: -35.377421
where:
bonds (distance) C4'-P energy: -5.932
bonds (distance) P-C4' energy: -6.177
flat angles C4'-P-C4' energy: -7.384
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -8.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -77.745935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.745935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.745935 (E_RNA)
where:
Base-Base interactions energy: -39.964
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.067
local terms energy: -37.715530
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -163.729924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.729924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.729924 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -53.439
Base-Backbone interact. energy: -0.000
local terms energy: -46.718592
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -1.735
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -13.152
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: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -195.354051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.354051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.354051 (E_RNA)
where:
Base-Base interactions energy: -139.663
where: short stacking energy: -55.923
Base-Backbone interact. energy: 0.552
local terms energy: -56.243197
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -14.429
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: 9
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -194.649055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.649055 (E_RNA)
where:
Base-Base interactions energy: -133.080
where: short stacking energy: -61.672
Base-Backbone interact. energy: -0.000
local terms energy: -61.568538
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -14.335
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: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -187.989699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.989699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.989699 (E_RNA)
where:
Base-Base interactions energy: -130.294
where: short stacking energy: -55.144
Base-Backbone interact. energy: -0.566
local terms energy: -57.129936
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -13.216
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: 84
Temperature: 1.050000
Total energy: -181.361068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.361068 (E_RNA)
where:
Base-Base interactions energy: -123.489
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.035
local terms energy: -57.837154
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -3.294
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -180.313900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.313900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.313900 (E_RNA)
where:
Base-Base interactions energy: -123.606
where: short stacking energy: -53.596
Base-Backbone interact. energy: -1.123
local terms energy: -55.585596
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -15.424
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: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -160.458042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.458042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.458042 (E_RNA)
where:
Base-Base interactions energy: -106.358
where: short stacking energy: -41.913
Base-Backbone interact. energy: 0.291
local terms energy: -54.390552
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -161.176882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.176882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.176882 (E_RNA)
where:
Base-Base interactions energy: -118.234
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.000
local terms energy: -42.942417
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -3.047
flat angles P-C4'-P energy: -5.910
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -129.045981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.045981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.045981 (E_RNA)
where:
Base-Base interactions energy: -88.629
where: short stacking energy: -39.008
Base-Backbone interact. energy: -0.010
local terms energy: -40.406418
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -8.284
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -5.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -165.245005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.245005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.245005 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.100
local terms energy: -52.026065
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -11.429
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: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -82.430182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.430182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.430182 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -26.649
Base-Backbone interact. energy: -0.123
local terms energy: -37.373037
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -10.596
flat angles C4'-P-C4' energy: -6.289
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -2.448
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: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -195.765678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.765678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.765678 (E_RNA)
where:
Base-Base interactions energy: -133.428
where: short stacking energy: -58.316
Base-Backbone interact. energy: -0.592
local terms energy: -61.746271
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -183.438854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.438854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.438854 (E_RNA)
where:
Base-Base interactions energy: -127.062
where: short stacking energy: -55.925
Base-Backbone interact. energy: -0.739
local terms energy: -55.637311
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -11.744
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: 9
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -181.886202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.886202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.886202 (E_RNA)
where:
Base-Base interactions energy: -130.657
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.001
local terms energy: -51.228334
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -184.225182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.225182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.225182 (E_RNA)
where:
Base-Base interactions energy: -124.500
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.054
local terms energy: -59.670696
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -15.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -183.246316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.246316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.246316 (E_RNA)
where:
Base-Base interactions energy: -129.322
where: short stacking energy: -50.506
Base-Backbone interact. energy: -0.596
local terms energy: -53.329130
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -13.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -164.437526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.437526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.437526 (E_RNA)
where:
Base-Base interactions energy: -110.024
where: short stacking energy: -43.971
Base-Backbone interact. energy: -0.072
local terms energy: -54.341281
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -152.961636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.961636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.961636 (E_RNA)
where:
Base-Base interactions energy: -100.201
where: short stacking energy: -41.046
Base-Backbone interact. energy: -0.132
local terms energy: -52.628802
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -169.518774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.518774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.518774 (E_RNA)
where:
Base-Base interactions energy: -114.333
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.097
local terms energy: -55.088970
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -11.626
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: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -122.387717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.387717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.387717 (E_RNA)
where:
Base-Base interactions energy: -82.820
where: short stacking energy: -32.450
Base-Backbone interact. energy: -0.005
local terms energy: -39.562947
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -3.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -69.521379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.521379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.521379 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -27.864
Base-Backbone interact. energy: -0.015
local terms energy: -41.323463
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.816
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -190.258640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.258640 (E_RNA)
where:
Base-Base interactions energy: -130.382
where: short stacking energy: -55.594
Base-Backbone interact. energy: -0.063
local terms energy: -59.813468
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -13.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -194.858551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.858551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.858551 (E_RNA)
where:
Base-Base interactions energy: -136.078
where: short stacking energy: -59.591
Base-Backbone interact. energy: -0.074
local terms energy: -58.706008
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -9.754
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -13.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -190.531946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.531946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.531946 (E_RNA)
where:
Base-Base interactions energy: -125.563
where: short stacking energy: -59.423
Base-Backbone interact. energy: -0.544
local terms energy: -64.424150
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -15.954
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: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -187.915287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.915287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.915287 (E_RNA)
where:
Base-Base interactions energy: -125.485
where: short stacking energy: -62.682
Base-Backbone interact. energy: -0.000
local terms energy: -62.429954
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -179.236812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.236812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.236812 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.001
local terms energy: -53.779677
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -8.871
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -11.937
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: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -177.070303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.070303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.070303 (E_RNA)
where:
Base-Base interactions energy: -127.679
where: short stacking energy: -50.675
Base-Backbone interact. energy: -0.754
local terms energy: -48.637561
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -9.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -163.463006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.463006 (E_RNA)
where:
Base-Base interactions energy: -119.276
where: short stacking energy: -46.676
Base-Backbone interact. energy: -0.004
local terms energy: -44.183325
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -4.000
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -10.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -141.924260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.924260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.924260 (E_RNA)
where:
Base-Base interactions energy: -99.369
where: short stacking energy: -37.930
Base-Backbone interact. energy: -0.183
local terms energy: -42.372907
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -7.597
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -8.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -72.436838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.436838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.436838 (E_RNA)
where:
Base-Base interactions energy: -29.995
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.035
local terms energy: -42.407338
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -109.329307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.329307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.329307 (E_RNA)
where:
Base-Base interactions energy: -70.681
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.027
local terms energy: -38.621797
where:
bonds (distance) C4'-P energy: -7.067
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -4.797
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -6.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -190.487186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.487186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.487186 (E_RNA)
where:
Base-Base interactions energy: -133.677
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.075
local terms energy: -56.734844
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.896
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -12.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -188.145679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.145679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.145679 (E_RNA)
where:
Base-Base interactions energy: -128.269
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.617
local terms energy: -59.259720
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -13.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -189.499845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.499845 (E_RNA)
where:
Base-Base interactions energy: -128.627
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.138
local terms energy: -60.734136
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.560
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: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -189.573612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.573612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.573612 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.008
local terms energy: -57.350679
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -186.940573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.940573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.940573 (E_RNA)
where:
Base-Base interactions energy: -127.812
where: short stacking energy: -56.708
Base-Backbone interact. energy: -0.001
local terms energy: -59.128219
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -16.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -183.383013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.383013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.383013 (E_RNA)
where:
Base-Base interactions energy: -126.283
where: short stacking energy: -58.836
Base-Backbone interact. energy: -0.010
local terms energy: -57.090303
where:
bonds (distance) C4'-P energy: -9.621
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -15.820
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: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -170.190765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.190765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.190765 (E_RNA)
where:
Base-Base interactions energy: -112.197
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.025
local terms energy: -57.968852
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -10.328
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -151.284683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.284683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.284683 (E_RNA)
where:
Base-Base interactions energy: -99.407
where: short stacking energy: -41.719
Base-Backbone interact. energy: -0.011
local terms energy: -51.867020
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -8.792
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -9.589
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: 87
Temperature: 1.300000
Total energy: -65.941874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.941874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.941874 (E_RNA)
where:
Base-Base interactions energy: -21.451
where: short stacking energy: -21.429
Base-Backbone interact. energy: -0.638
local terms energy: -43.852465
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -4.950
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: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -117.497213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.497213 (E_RNA)
where:
Base-Base interactions energy: -72.533
where: short stacking energy: -29.373
Base-Backbone interact. energy: -0.008
local terms energy: -44.956050
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -6.698
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: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -191.776002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.776002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.776002 (E_RNA)
where:
Base-Base interactions energy: -130.405
where: short stacking energy: -59.128
Base-Backbone interact. energy: -0.017
local terms energy: -61.354153
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -186.206757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.206757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.206757 (E_RNA)
where:
Base-Base interactions energy: -127.179
where: short stacking energy: -50.096
Base-Backbone interact. energy: -0.677
local terms energy: -58.350948
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -13.224
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: 9
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -187.493173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.493173 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.000
local terms energy: -60.192732
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -16.540
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: 4, replica: 7
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -188.862927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.862927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862927 (E_RNA)
where:
Base-Base interactions energy: -130.899
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.431
local terms energy: -57.532924
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -180.509108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.509108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.509108 (E_RNA)
where:
Base-Base interactions energy: -126.202
where: short stacking energy: -60.855
Base-Backbone interact. energy: -0.097
local terms energy: -54.210918
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -7.837
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -15.030
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: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -184.724781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.724781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.724781 (E_RNA)
where:
Base-Base interactions energy: -128.775
where: short stacking energy: -58.941
Base-Backbone interact. energy: 0.056
local terms energy: -56.005279
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -15.566
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: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -147.527364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.527364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.527364 (E_RNA)
where:
Base-Base interactions energy: -91.586
where: short stacking energy: -39.956
Base-Backbone interact. energy: -1.164
local terms energy: -54.776581
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.773
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -8.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -169.758229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.758229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.758229 (E_RNA)
where:
Base-Base interactions energy: -113.717
where: short stacking energy: -43.801
Base-Backbone interact. energy: -0.054
local terms energy: -55.987011
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -80.383004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383004 (E_RNA)
where:
Base-Base interactions energy: -42.466
where: short stacking energy: -42.466
Base-Backbone interact. energy: -0.009
local terms energy: -37.908543
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -5.890
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -66.214650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.214650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.214650 (E_RNA)
where:
Base-Base interactions energy: -27.840
where: short stacking energy: -24.340
Base-Backbone interact. energy: -0.003
local terms energy: -38.371757
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -197.351605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.351605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.351605 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -63.906
Base-Backbone interact. energy: -0.003
local terms energy: -60.595941
where:
bonds (distance) C4'-P energy: -7.974
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -17.068
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: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -190.849436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.849436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.849436 (E_RNA)
where:
Base-Base interactions energy: -130.928
where: short stacking energy: -61.713
Base-Backbone interact. energy: -0.009
local terms energy: -59.911649
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -16.270
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: 89
Temperature: 1.000000
Total energy: -186.953643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.953643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.953643 (E_RNA)
where:
Base-Base interactions energy: -132.996
where: short stacking energy: -51.807
Base-Backbone interact. energy: -0.926
local terms energy: -53.031220
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -183.617651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.617651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.617651 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -61.562
Base-Backbone interact. energy: -0.190
local terms energy: -51.992809
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -10.785
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: 7
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -185.855269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.855269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.855269 (E_RNA)
where:
Base-Base interactions energy: -128.784
where: short stacking energy: -56.496
Base-Backbone interact. energy: -0.011
local terms energy: -57.060426
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -181.083264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.083264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.083264 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -58.574
Base-Backbone interact. energy: -0.001
local terms energy: -56.341586
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -9.241
flat angles P-C4'-P energy: -8.640
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: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -149.883520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.883520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.883520 (E_RNA)
where:
Base-Base interactions energy: -104.013
where: short stacking energy: -48.304
Base-Backbone interact. energy: -0.706
local terms energy: -45.164065
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -3.731
tors. eta vs tors. theta energy: -11.486
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: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -171.525773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.525773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.525773 (E_RNA)
where:
Base-Base interactions energy: -121.015
where: short stacking energy: -47.714
Base-Backbone interact. energy: -0.003
local terms energy: -50.507770
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -5.817
tors. eta vs tors. theta energy: -10.335
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: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -65.679099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.679099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.679099 (E_RNA)
where:
Base-Base interactions energy: -24.424
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.214
local terms energy: -41.041823
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -85.754468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.754468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.754468 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -37.444
Base-Backbone interact. energy: -0.092
local terms energy: -43.876161
where:
bonds (distance) C4'-P energy: -4.085
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -9.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -194.458764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.458764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.458764 (E_RNA)
where:
Base-Base interactions energy: -130.257
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.001
local terms energy: -64.201122
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -191.627955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.627955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.627955 (E_RNA)
where:
Base-Base interactions energy: -123.688
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.002
local terms energy: -67.937918
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -14.936
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -14.477
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: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -182.093844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.093844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.093844 (E_RNA)
where:
Base-Base interactions energy: -122.887
where: short stacking energy: -58.432
Base-Backbone interact. energy: -0.119
local terms energy: -59.087737
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -175.956402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.956402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.956402 (E_RNA)
where:
Base-Base interactions energy: -131.215
where: short stacking energy: -53.888
Base-Backbone interact. energy: -0.174
local terms energy: -44.567110
where:
bonds (distance) C4'-P energy: -5.766
bonds (distance) P-C4' energy: -6.386
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -185.519611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519611 (E_RNA)
where:
Base-Base interactions energy: -121.657
where: short stacking energy: -60.502
Base-Backbone interact. energy: -0.000
local terms energy: -63.862044
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -11.091
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -181.176781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.176781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.176781 (E_RNA)
where:
Base-Base interactions energy: -119.680
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.140
local terms energy: -61.356576
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.822
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: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -176.618989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.618989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.618989 (E_RNA)
where:
Base-Base interactions energy: -118.619
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.074
local terms energy: -57.926429
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -10.981
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: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -144.085247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.085247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.085247 (E_RNA)
where:
Base-Base interactions energy: -98.446
where: short stacking energy: -48.517
Base-Backbone interact. energy: -0.001
local terms energy: -45.638128
where:
bonds (distance) C4'-P energy: -2.858
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -78.332682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.332682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.332682 (E_RNA)
where:
Base-Base interactions energy: -38.398
where: short stacking energy: -26.788
Base-Backbone interact. energy: 0.997
local terms energy: -40.932175
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -1.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -62.845324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.845324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.845324 (E_RNA)
where:
Base-Base interactions energy: -21.736
where: short stacking energy: -21.736
Base-Backbone interact. energy: -0.189
local terms energy: -40.920280
where:
bonds (distance) C4'-P energy: -4.938
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -1.410
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: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -196.106959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.106959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.106959 (E_RNA)
where:
Base-Base interactions energy: -128.811
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.101
local terms energy: -67.195739
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -187.313638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.313638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.313638 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.101
local terms energy: -60.117207
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -188.069177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069177 (E_RNA)
where:
Base-Base interactions energy: -127.440
where: short stacking energy: -57.489
Base-Backbone interact. energy: -0.003
local terms energy: -60.626820
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -181.339127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.339127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.339127 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -54.500
Base-Backbone interact. energy: -0.028
local terms energy: -59.055987
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: -11.468
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: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -168.564141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.564141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.564141 (E_RNA)
where:
Base-Base interactions energy: -113.227
where: short stacking energy: -47.275
Base-Backbone interact. energy: -0.067
local terms energy: -55.270147
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -172.852506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.852506 (E_RNA)
where:
Base-Base interactions energy: -123.285
where: short stacking energy: -48.885
Base-Backbone interact. energy: -0.005
local terms energy: -49.562747
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -8.654
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -181.855058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.855058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.855058 (E_RNA)
where:
Base-Base interactions energy: -123.663
where: short stacking energy: -59.503
Base-Backbone interact. energy: -0.075
local terms energy: -58.117321
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -17.052
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: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -148.027796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.027796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.027796 (E_RNA)
where:
Base-Base interactions energy: -104.952
where: short stacking energy: -47.081
Base-Backbone interact. energy: -0.202
local terms energy: -42.874207
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -9.437
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -73.392016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.392016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.392016 (E_RNA)
where:
Base-Base interactions energy: -31.675
where: short stacking energy: -31.675
Base-Backbone interact. energy: -0.055
local terms energy: -41.662001
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -60.515558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.515558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.515558 (E_RNA)
where:
Base-Base interactions energy: -22.674
where: short stacking energy: -16.647
Base-Backbone interact. energy: 1.895
local terms energy: -39.736093
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -0.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -194.346156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.346156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.346156 (E_RNA)
where:
Base-Base interactions energy: -130.870
where: short stacking energy: -62.830
Base-Backbone interact. energy: -0.012
local terms energy: -63.464374
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -16.074
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: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -194.058441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.058441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.058441 (E_RNA)
where:
Base-Base interactions energy: -129.937
where: short stacking energy: -61.313
Base-Backbone interact. energy: -0.219
local terms energy: -63.902373
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -14.295
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: 9
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -189.612174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.612174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.612174 (E_RNA)
where:
Base-Base interactions energy: -128.235
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.000
local terms energy: -61.376564
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -184.426065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.426065 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -61.259
Base-Backbone interact. energy: -0.009
local terms energy: -59.887667
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -185.454974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.454974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.454974 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.001
local terms energy: -56.314465
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -174.972932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.972932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.972932 (E_RNA)
where:
Base-Base interactions energy: -119.776
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.018
local terms energy: -55.179710
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -176.937707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.937707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.937707 (E_RNA)
where:
Base-Base interactions energy: -121.336
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.005
local terms energy: -55.597130
where:
bonds (distance) C4'-P energy: -7.539
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -13.186
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: 8, replica: 4
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -125.633789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.633789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.633789 (E_RNA)
where:
Base-Base interactions energy: -76.442
where: short stacking energy: -40.194
Base-Backbone interact. energy: -0.092
local terms energy: -49.099490
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -9.945
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -71.630943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.630943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.630943 (E_RNA)
where:
Base-Base interactions energy: -34.054
where: short stacking energy: -32.768
Base-Backbone interact. energy: 0.771
local terms energy: -38.348288
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -7.882
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -64.160204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.160204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.160204 (E_RNA)
where:
Base-Base interactions energy: -24.597
where: short stacking energy: -22.437
Base-Backbone interact. energy: -0.190
local terms energy: -39.373285
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -7.744
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -2.119
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: 6
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -191.951173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.951173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.951173 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -59.003
Base-Backbone interact. energy: -0.006
local terms energy: -60.503537
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -194.517312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.517312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.517312 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -60.581
Base-Backbone interact. energy: -0.021
local terms energy: -64.985770
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -186.670897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.670897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.670897 (E_RNA)
where:
Base-Base interactions energy: -131.662
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.959
local terms energy: -54.049681
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -8.868
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -15.060
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: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -185.444877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.444877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.444877 (E_RNA)
where:
Base-Base interactions energy: -123.301
where: short stacking energy: -55.848
Base-Backbone interact. energy: -0.001
local terms energy: -62.143195
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -14.728
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: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -174.697104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.697104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.697104 (E_RNA)
where:
Base-Base interactions energy: -124.129
where: short stacking energy: -54.040
Base-Backbone interact. energy: -0.006
local terms energy: -50.561736
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -179.621384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.621384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.621384 (E_RNA)
where:
Base-Base interactions energy: -123.865
where: short stacking energy: -58.245
Base-Backbone interact. energy: -0.007
local terms energy: -55.749153
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -178.864641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.864641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.864641 (E_RNA)
where:
Base-Base interactions energy: -126.594
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.005
local terms energy: -52.266083
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -6.814
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -144.356894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.356894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.356894 (E_RNA)
where:
Base-Base interactions energy: -94.144
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.004
local terms energy: -50.209415
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -77.912290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912290 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.113
local terms energy: -45.678348
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -8.317
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: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -64.259396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.259396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.259396 (E_RNA)
where:
Base-Base interactions energy: -29.368
where: short stacking energy: -29.368
Base-Backbone interact. energy: -0.185
local terms energy: -34.706476
where:
bonds (distance) C4'-P energy: -3.672
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -10.279
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -4.252
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: 1, replica: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -190.005371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.005371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.005371 (E_RNA)
where:
Base-Base interactions energy: -133.486
where: short stacking energy: -62.798
Base-Backbone interact. energy: -0.241
local terms energy: -56.277800
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -185.005014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.005014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.005014 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -57.732
Base-Backbone interact. energy: -0.026
local terms energy: -56.529243
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -188.130289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.130289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.130289 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -61.738
Base-Backbone interact. energy: -0.365
local terms energy: -54.877298
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -180.238438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.238438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.238438 (E_RNA)
where:
Base-Base interactions energy: -123.286
where: short stacking energy: -56.158
Base-Backbone interact. energy: -0.016
local terms energy: -56.936482
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -7.627
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: 5, replica: 2
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -184.406293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.406293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.406293 (E_RNA)
where:
Base-Base interactions energy: -127.342
where: short stacking energy: -55.879
Base-Backbone interact. energy: -0.003
local terms energy: -57.062131
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -177.510864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510864 (E_RNA)
where:
Base-Base interactions energy: -120.073
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.064
local terms energy: -57.373662
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -174.054984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.054984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.054984 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.156
local terms energy: -54.745695
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -9.553
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: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -151.261851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.261851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.261851 (E_RNA)
where:
Base-Base interactions energy: -111.490
where: short stacking energy: -43.477
Base-Backbone interact. energy: -0.042
local terms energy: -39.730138
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -5.106
flat angles P-C4'-P energy: -3.953
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: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -64.113926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.113926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.113926 (E_RNA)
where:
Base-Base interactions energy: -25.139
where: short stacking energy: -24.424
Base-Backbone interact. energy: -0.139
local terms energy: -38.836353
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -2.761
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -75.174131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.174131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.174131 (E_RNA)
where:
Base-Base interactions energy: -35.144
where: short stacking energy: -35.237
Base-Backbone interact. energy: -0.020
local terms energy: -40.010049
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -4.506
flat angles C4'-P-C4' energy: -8.082
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -6.997
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: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -191.474110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.474110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.474110 (E_RNA)
where:
Base-Base interactions energy: -128.179
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.048
local terms energy: -63.247672
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -16.400
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: 95
Temperature: 0.950000
Total energy: -192.231119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.231119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.231119 (E_RNA)
where:
Base-Base interactions energy: -133.869
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.025
local terms energy: -58.336752
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -190.558052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.558052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.558052 (E_RNA)
where:
Base-Base interactions energy: -131.011
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.053
local terms energy: -59.493221
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -12.894
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: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -189.630265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.630265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.630265 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.001
local terms energy: -60.443012
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -17.457
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: 95
Temperature: 1.100000
Total energy: -181.911385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.911385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.911385 (E_RNA)
where:
Base-Base interactions energy: -129.651
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.004
local terms energy: -52.256004
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -10.606
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -15.498
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: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -178.919217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.919217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.919217 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -51.241
Base-Backbone interact. energy: -0.107
local terms energy: -54.039175
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -9.084
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -12.290
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: 7, replica: 7
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -158.048592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.048592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.048592 (E_RNA)
where:
Base-Base interactions energy: -112.765
where: short stacking energy: -41.159
Base-Backbone interact. energy: 0.695
local terms energy: -45.978855
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -10.104
flat angles C4'-P-C4' energy: -9.535
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -75.583553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.583553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.583553 (E_RNA)
where:
Base-Base interactions energy: -34.237
where: short stacking energy: -34.237
Base-Backbone interact. energy: -0.017
local terms energy: -41.329251
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -9.946
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -5.692
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: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -152.715467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.715467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.715467 (E_RNA)
where:
Base-Base interactions energy: -100.005
where: short stacking energy: -49.948
Base-Backbone interact. energy: -0.090
local terms energy: -52.620160
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -6.925
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -13.312
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -63.639971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.639971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.639971 (E_RNA)
where:
Base-Base interactions energy: -22.500
where: short stacking energy: -17.973
Base-Backbone interact. energy: -0.033
local terms energy: -41.107240
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -2.741
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -193.388808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.388808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.388808 (E_RNA)
where:
Base-Base interactions energy: -136.345
where: short stacking energy: -52.264
Base-Backbone interact. energy: -0.122
local terms energy: -56.921618
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -9.451
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: 9
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -183.697026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.697026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.697026 (E_RNA)
where:
Base-Base interactions energy: -129.099
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.366
local terms energy: -54.232407
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -184.077724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.077724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.077724 (E_RNA)
where:
Base-Base interactions energy: -128.834
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.241
local terms energy: -55.002562
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -8.045
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -10.308
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: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -191.024598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.024598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.024598 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.016
local terms energy: -55.393054
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -11.742
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -179.641190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.641190 (E_RNA)
where:
Base-Base interactions energy: -121.517
where: short stacking energy: -47.162
Base-Backbone interact. energy: 0.106
local terms energy: -58.229557
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -180.329014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.329014 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.008
local terms energy: -54.543094
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -14.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -175.855805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.855805 (E_RNA)
where:
Base-Base interactions energy: -123.272
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.002
local terms energy: -52.581355
where:
bonds (distance) C4'-P energy: -3.602
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -15.921
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: 8, replica: 1
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -72.073024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.073024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.073024 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.328
local terms energy: -37.896695
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -5.709
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -1.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -86.433540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433540 (E_RNA)
where:
Base-Base interactions energy: -45.505
where: short stacking energy: -45.461
Base-Backbone interact. energy: -0.005
local terms energy: -40.923584
where:
bonds (distance) C4'-P energy: -8.938
bonds (distance) P-C4' energy: -7.649
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -7.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -146.705005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.705005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.705005 (E_RNA)
where:
Base-Base interactions energy: -98.112
where: short stacking energy: -32.195
Base-Backbone interact. energy: -0.004
local terms energy: -48.589405
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -9.267
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -194.566524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.566524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.566524 (E_RNA)
where:
Base-Base interactions energy: -135.591
where: short stacking energy: -54.910
Base-Backbone interact. energy: -0.129
local terms energy: -58.846148
where:
bonds (distance) C4'-P energy: -11.862
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -10.780
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: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -191.103042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.103042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.103042 (E_RNA)
where:
Base-Base interactions energy: -127.788
where: short stacking energy: -60.313
Base-Backbone interact. energy: -0.012
local terms energy: -63.302501
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -185.374271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.374271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.374271 (E_RNA)
where:
Base-Base interactions energy: -130.469
where: short stacking energy: -54.533
Base-Backbone interact. energy: -0.863
local terms energy: -54.042332
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -12.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -184.796805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.796805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.796805 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.001
local terms energy: -55.958647
where:
bonds (distance) C4'-P energy: -7.656
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -193.841391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.841391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.841391 (E_RNA)
where:
Base-Base interactions energy: -132.320
where: short stacking energy: -61.780
Base-Backbone interact. energy: -0.013
local terms energy: -61.508350
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -16.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -171.405687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.405687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.405687 (E_RNA)
where:
Base-Base interactions energy: -118.277
where: short stacking energy: -51.146
Base-Backbone interact. energy: -0.022
local terms energy: -53.106760
where:
bonds (distance) C4'-P energy: -7.949
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -169.990282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.990282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.990282 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.129
local terms energy: -54.594314
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -9.248
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -16.647
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: 8
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -72.475653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.475653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.475653 (E_RNA)
where:
Base-Base interactions energy: -25.382
where: short stacking energy: -17.433
Base-Backbone interact. energy: -0.032
local terms energy: -47.062018
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -11.264
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -4.234
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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -77.413146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.413146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.413146 (E_RNA)
where:
Base-Base interactions energy: -31.873
where: short stacking energy: -28.447
Base-Backbone interact. energy: -0.111
local terms energy: -45.428681
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -6.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -147.379004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.379004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.379004 (E_RNA)
where:
Base-Base interactions energy: -105.053
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.594
local terms energy: -41.732199
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -4.865
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -8.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -189.196982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.196982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.196982 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.472
local terms energy: -55.326344
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -12.200
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: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -192.851490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.851490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.851490 (E_RNA)
where:
Base-Base interactions energy: -135.794
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.234
local terms energy: -56.823454
where:
bonds (distance) C4'-P energy: -12.830
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -11.538
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: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -186.706348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.706348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.706348 (E_RNA)
where:
Base-Base interactions energy: -124.329
where: short stacking energy: -55.082
Base-Backbone interact. energy: -0.009
local terms energy: -62.369009
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -15.094
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: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -183.682558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.682558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.682558 (E_RNA)
where:
Base-Base interactions energy: -120.155
where: short stacking energy: -56.744
Base-Backbone interact. energy: -0.632
local terms energy: -62.895545
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -15.834
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: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -180.369265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.369265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.369265 (E_RNA)
where:
Base-Base interactions energy: -128.100
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.556
local terms energy: -51.713999
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -9.013
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -179.786450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.786450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.786450 (E_RNA)
where:
Base-Base interactions energy: -123.370
where: short stacking energy: -56.984
Base-Backbone interact. energy: -0.015
local terms energy: -56.401362
where:
bonds (distance) C4'-P energy: -7.581
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -173.351617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.351617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.351617 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.280
local terms energy: -59.238310
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -14.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -63.322968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.322968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.322968 (E_RNA)
where:
Base-Base interactions energy: -20.875
where: short stacking energy: -20.875
Base-Backbone interact. energy: -0.423
local terms energy: -42.025270
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -6.237
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -5.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -100.864629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.864629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.864629 (E_RNA)
where:
Base-Base interactions energy: -55.684
where: short stacking energy: -25.346
Base-Backbone interact. energy: -0.076
local terms energy: -45.104260
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -4.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -72.513913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.513913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.513913 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -21.135
Base-Backbone interact. energy: 0.486
local terms energy: -31.941654
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -8.740
flat angles C4'-P-C4' energy: -8.821
flat angles P-C4'-P energy: -6.107
tors. eta vs tors. theta energy: 1.957
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: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -189.106156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.106156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.106156 (E_RNA)
where:
Base-Base interactions energy: -129.659
where: short stacking energy: -50.773
Base-Backbone interact. energy: -0.338
local terms energy: -59.109539
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -15.019
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: 10
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -190.486787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.486787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.486787 (E_RNA)
where:
Base-Base interactions energy: -128.571
where: short stacking energy: -56.143
Base-Backbone interact. energy: -0.019
local terms energy: -61.896958
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -18.066
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: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -190.590807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.590807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.590807 (E_RNA)
where:
Base-Base interactions energy: -140.383
where: short stacking energy: -51.056
Base-Backbone interact. energy: -0.046
local terms energy: -50.162246
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -10.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -190.630778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.630778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.630778 (E_RNA)
where:
Base-Base interactions energy: -126.313
where: short stacking energy: -52.483
Base-Backbone interact. energy: -0.000
local terms energy: -64.317416
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -187.560412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.560412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.560412 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -52.777
Base-Backbone interact. energy: -0.032
local terms energy: -62.078566
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -173.577201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.577201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.577201 (E_RNA)
where:
Base-Base interactions energy: -121.184
where: short stacking energy: -54.970
Base-Backbone interact. energy: -0.002
local terms energy: -52.391252
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -6.714
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -171.461887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.461887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.461887 (E_RNA)
where:
Base-Base interactions energy: -120.060
where: short stacking energy: -48.857
Base-Backbone interact. energy: -0.115
local terms energy: -51.286518
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -7.767
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -103.278954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.278954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.278954 (E_RNA)
where:
Base-Base interactions energy: -61.224
where: short stacking energy: -35.286
Base-Backbone interact. energy: -0.060
local terms energy: -41.995178
where:
bonds (distance) C4'-P energy: -5.979
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -88.622951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.622951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.622951 (E_RNA)
where:
Base-Base interactions energy: -52.056
where: short stacking energy: -22.070
Base-Backbone interact. energy: -0.042
local terms energy: -36.524785
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -10.706
flat angles P-C4'-P energy: -1.673
tors. eta vs tors. theta energy: -0.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -61.996791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.996791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.996791 (E_RNA)
where:
Base-Base interactions energy: -21.554
where: short stacking energy: -20.087
Base-Backbone interact. energy: -0.019
local terms energy: -40.423176
where:
bonds (distance) C4'-P energy: -4.777
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -9.157
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -5.058
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -195.884314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.884314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.884314 (E_RNA)
where:
Base-Base interactions energy: -132.728
where: short stacking energy: -62.082
Base-Backbone interact. energy: -0.012
local terms energy: -63.143656
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -193.525594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.525594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.525594 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -53.786
Base-Backbone interact. energy: -0.057
local terms energy: -59.351831
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -184.998455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.998455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.998455 (E_RNA)
where:
Base-Base interactions energy: -127.673
where: short stacking energy: -56.610
Base-Backbone interact. energy: -0.000
local terms energy: -57.325680
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -12.421
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: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -187.564814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.564814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.564814 (E_RNA)
where:
Base-Base interactions energy: -132.238
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.399
local terms energy: -54.928383
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -183.232583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.232583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.232583 (E_RNA)
where:
Base-Base interactions energy: -122.899
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.068
local terms energy: -60.266137
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -9.256
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: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -176.863104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.863104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.863104 (E_RNA)
where:
Base-Base interactions energy: -125.505
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.381
local terms energy: -50.976882
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -7.054
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -16.591
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: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -170.514496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.514496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.514496 (E_RNA)
where:
Base-Base interactions energy: -114.320
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.008
local terms energy: -56.186356
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -8.168
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: 8, replica: 1
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -90.447103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.447103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.447103 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -19.606
Base-Backbone interact. energy: -0.150
local terms energy: -43.173350
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -2.650
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: 100
Temperature: 1.300000
Total energy: -67.053493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.053493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.053493 (E_RNA)
where:
Base-Base interactions energy: -29.104
where: short stacking energy: -29.104
Base-Backbone interact. energy: -0.034
local terms energy: -37.915981
where:
bonds (distance) C4'-P energy: -5.717
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -5.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -72.308369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.308369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.308369 (E_RNA)
where:
Base-Base interactions energy: -39.667
where: short stacking energy: -36.925
Base-Backbone interact. energy: -0.058
local terms energy: -32.582876
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -10.312
flat angles C4'-P-C4' energy: -8.568
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -195.445516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.445516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.445516 (E_RNA)
where:
Base-Base interactions energy: -128.515
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.009
local terms energy: -66.921439
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -185.274845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.274845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.274845 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.076
local terms energy: -61.169954
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -14.688
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: 6
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -196.450773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.450773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.450773 (E_RNA)
where:
Base-Base interactions energy: -135.312
where: short stacking energy: -56.971
Base-Backbone interact. energy: 0.192
local terms energy: -61.330343
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -12.894
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: 4, replica: 7
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -186.205437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.205437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.205437 (E_RNA)
where:
Base-Base interactions energy: -122.613
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.022
local terms energy: -63.570255
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -177.577342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.577342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.577342 (E_RNA)
where:
Base-Base interactions energy: -120.291
where: short stacking energy: -51.512
Base-Backbone interact. energy: -0.139
local terms energy: -57.146736
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -12.730
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: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -184.284819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.284819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.284819 (E_RNA)
where:
Base-Base interactions energy: -124.116
where: short stacking energy: -54.788
Base-Backbone interact. energy: -0.627
local terms energy: -59.541439
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -165.898665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.898665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.898665 (E_RNA)
where:
Base-Base interactions energy: -118.073
where: short stacking energy: -42.952
Base-Backbone interact. energy: -0.308
local terms energy: -47.517133
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -9.857
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -8.469
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: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -69.900214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.900214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.900214 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -30.006
Base-Backbone interact. energy: -0.013
local terms energy: -38.357309
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -8.385
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -5.668
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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -94.061808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.061808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.061808 (E_RNA)
where:
Base-Base interactions energy: -57.737
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.081
local terms energy: -36.243446
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -7.119
tors. eta vs tors. theta energy: -3.728
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: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -75.642992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.642992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.642992 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -11.024
Base-Backbone interact. energy: -0.103
local terms energy: -38.930133
where:
bonds (distance) C4'-P energy: -11.218
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -9.125
flat angles P-C4'-P energy: -7.671
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: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -191.616971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616971 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -60.266
Base-Backbone interact. energy: -0.239
local terms energy: -58.906593
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -10.903
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -191.825817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.825817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.825817 (E_RNA)
where:
Base-Base interactions energy: -133.977
where: short stacking energy: -60.963
Base-Backbone interact. energy: -0.013
local terms energy: -57.835675
where:
bonds (distance) C4'-P energy: -6.939
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -187.421271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.421271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.421271 (E_RNA)
where:
Base-Base interactions energy: -126.240
where: short stacking energy: -52.226
Base-Backbone interact. energy: -0.014
local terms energy: -61.167646
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -188.438248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.438248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.438248 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -56.297
Base-Backbone interact. energy: -0.000
local terms energy: -59.360711
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -15.975
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: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -173.234650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.234650 (E_RNA)
where:
Base-Base interactions energy: -122.339
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.258
local terms energy: -50.637531
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -6.081
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: 6, replica: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -177.410198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.410198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.410198 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -53.404
Base-Backbone interact. energy: -1.498
local terms energy: -55.242626
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -11.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -171.086922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.086922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.086922 (E_RNA)
where:
Base-Base interactions energy: -117.612
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.020
local terms energy: -53.454844
where:
bonds (distance) C4'-P energy: -8.353
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -64.060987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.060987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.060987 (E_RNA)
where:
Base-Base interactions energy: -27.017
where: short stacking energy: -10.355
Base-Backbone interact. energy: -0.841
local terms energy: -36.203079
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: 2.103
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: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -78.182724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.182724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.182724 (E_RNA)
where:
Base-Base interactions energy: -30.451
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.287
local terms energy: -47.445619
where:
bonds (distance) C4'-P energy: -8.202
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -6.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -68.464477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.464477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.464477 (E_RNA)
where:
Base-Base interactions energy: -25.411
where: short stacking energy: -25.411
Base-Backbone interact. energy: -0.552
local terms energy: -42.502166
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -8.553
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -4.277
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: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -195.188431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.188431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.188431 (E_RNA)
where:
Base-Base interactions energy: -128.430
where: short stacking energy: -58.191
Base-Backbone interact. energy: -0.374
local terms energy: -66.384847
where:
bonds (distance) C4'-P energy: -13.753
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -195.383849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.383849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.383849 (E_RNA)
where:
Base-Base interactions energy: -132.538
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.168
local terms energy: -62.677537
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -14.477
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: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -186.617290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.617290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.617290 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.180
local terms energy: -58.040345
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -184.562225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.562225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.562225 (E_RNA)
where:
Base-Base interactions energy: -124.970
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.003
local terms energy: -59.589760
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -8.375
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: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -175.970319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.970319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.970319 (E_RNA)
where:
Base-Base interactions energy: -117.496
where: short stacking energy: -51.554
Base-Backbone interact. energy: -0.003
local terms energy: -58.471581
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -171.020452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.020452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.020452 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.045
local terms energy: -55.472183
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -10.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -178.836238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.836238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.836238 (E_RNA)
where:
Base-Base interactions energy: -129.960
where: short stacking energy: -55.146
Base-Backbone interact. energy: -0.967
local terms energy: -47.909136
where:
bonds (distance) C4'-P energy: -5.702
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -69.411000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.411000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.411000 (E_RNA)
where:
Base-Base interactions energy: -17.787
where: short stacking energy: -16.705
Base-Backbone interact. energy: 0.290
local terms energy: -51.913431
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -65.011895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.011895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.011895 (E_RNA)
where:
Base-Base interactions energy: -30.749
where: short stacking energy: -29.383
Base-Backbone interact. energy: 2.700
local terms energy: -36.963252
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -9.655
flat angles P-C4'-P energy: -6.093
tors. eta vs tors. theta energy: -0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -65.823092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.823092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.823092 (E_RNA)
where:
Base-Base interactions energy: -27.161
where: short stacking energy: -22.175
Base-Backbone interact. energy: -0.063
local terms energy: -38.599794
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -5.577
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -199.801221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.801221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.801221 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -60.372
Base-Backbone interact. energy: 0.516
local terms energy: -58.835539
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -184.811114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.811114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.811114 (E_RNA)
where:
Base-Base interactions energy: -127.542
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.000
local terms energy: -57.268729
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -13.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -188.247320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.247320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.247320 (E_RNA)
where:
Base-Base interactions energy: -131.516
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.001
local terms energy: -56.730094
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -12.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -184.508040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.508040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.508040 (E_RNA)
where:
Base-Base interactions energy: -125.106
where: short stacking energy: -60.525
Base-Backbone interact. energy: -0.004
local terms energy: -59.398319
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -15.558
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: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -185.236438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.236438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.236438 (E_RNA)
where:
Base-Base interactions energy: -126.869
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.016
local terms energy: -58.351589
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -11.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -175.897129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.897129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.897129 (E_RNA)
where:
Base-Base interactions energy: -119.360
where: short stacking energy: -51.974
Base-Backbone interact. energy: -0.002
local terms energy: -56.535257
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -15.107
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: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -176.606997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.606997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.606997 (E_RNA)
where:
Base-Base interactions energy: -120.226
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.134
local terms energy: -56.246127
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -15.737
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: 104
Temperature: 1.250000
Total energy: -65.924304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.924304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.924304 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -23.355
Base-Backbone interact. energy: 0.753
local terms energy: -43.321943
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -62.766698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.766698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.766698 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -19.445
Base-Backbone interact. energy: -0.403
local terms energy: -35.572361
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -6.654
flat angles C4'-P-C4' energy: -9.804
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -69.727932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.727932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.727932 (E_RNA)
where:
Base-Base interactions energy: -29.311
where: short stacking energy: -26.681
Base-Backbone interact. energy: -0.031
local terms energy: -40.385985
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -8.944
flat angles C4'-P-C4' energy: -3.394
flat angles P-C4'-P energy: -5.247
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -194.073352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.073352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.073352 (E_RNA)
where:
Base-Base interactions energy: -131.236
where: short stacking energy: -60.309
Base-Backbone interact. energy: -0.011
local terms energy: -62.826455
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -192.740272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.740272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.740272 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -61.171
Base-Backbone interact. energy: -0.000
local terms energy: -60.206072
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -16.429
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: 105
Temperature: 1.000000
Total energy: -188.232022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.232022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.232022 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -54.490
Base-Backbone interact. energy: -0.000
local terms energy: -64.035570
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -188.563048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.563048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.563048 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -61.229
Base-Backbone interact. energy: -0.003
local terms energy: -58.412335
where:
bonds (distance) C4'-P energy: -7.891
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -13.717
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: 5, replica: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -182.404365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.404365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.404365 (E_RNA)
where:
Base-Base interactions energy: -126.463
where: short stacking energy: -60.106
Base-Backbone interact. energy: -0.217
local terms energy: -55.723617
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -14.751
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: 105
Temperature: 1.150000
Total energy: -176.389791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.389791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.389791 (E_RNA)
where:
Base-Base interactions energy: -122.756
where: short stacking energy: -54.460
Base-Backbone interact. energy: -0.000
local terms energy: -53.633757
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -7.618
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -6.593
tors. eta vs tors. theta energy: -14.663
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: 2
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -178.201161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.201161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.201161 (E_RNA)
where:
Base-Base interactions energy: -126.222
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.115
local terms energy: -51.864623
where:
bonds (distance) C4'-P energy: -9.604
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -75.444609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.444609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.444609 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -34.130
Base-Backbone interact. energy: -0.001
local terms energy: -40.726371
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -6.783
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -5.646
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: 9, replica: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -70.504591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.504591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.504591 (E_RNA)
where:
Base-Base interactions energy: -24.692
where: short stacking energy: -24.692
Base-Backbone interact. energy: -0.015
local terms energy: -45.797623
where:
bonds (distance) C4'-P energy: -11.115
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -78.249630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.249630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.249630 (E_RNA)
where:
Base-Base interactions energy: -39.591
where: short stacking energy: -39.346
Base-Backbone interact. energy: -0.071
local terms energy: -38.587538
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -10.354
flat angles C4'-P-C4' energy: -8.234
flat angles P-C4'-P energy: -5.104
tors. eta vs tors. theta energy: -3.265
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: 106
Temperature: 0.900000
Total energy: -194.261586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.261586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.261586 (E_RNA)
where:
Base-Base interactions energy: -132.956
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.029
local terms energy: -61.276982
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -16.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -190.164697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.164697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.164697 (E_RNA)
where:
Base-Base interactions energy: -131.057
where: short stacking energy: -58.979
Base-Backbone interact. energy: -0.002
local terms energy: -59.105393
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -184.225418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.225418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.225418 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -55.789
Base-Backbone interact. energy: -0.000
local terms energy: -52.266512
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -11.249
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -9.338
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: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -188.278981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.278981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.278981 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.001
local terms energy: -59.914214
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -181.556488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.556488 (E_RNA)
where:
Base-Base interactions energy: -128.461
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.000
local terms energy: -53.095370
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -8.411
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -15.090
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: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -177.091446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.091446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.091446 (E_RNA)
where:
Base-Base interactions energy: -123.041
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.087
local terms energy: -53.963352
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -169.743018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.743018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.743018 (E_RNA)
where:
Base-Base interactions energy: -120.637
where: short stacking energy: -50.308
Base-Backbone interact. energy: 1.868
local terms energy: -50.974299
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -9.705
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: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -75.117924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.117924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.117924 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.518
local terms energy: -45.602323
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -70.538086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.538086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.538086 (E_RNA)
where:
Base-Base interactions energy: -31.152
where: short stacking energy: -31.139
Base-Backbone interact. energy: -0.012
local terms energy: -39.373916
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -1.064
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: 106
Temperature: 1.350000
Total energy: -57.598866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.598866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.598866 (E_RNA)
where:
Base-Base interactions energy: -26.894
where: short stacking energy: -20.650
Base-Backbone interact. energy: -0.246
local terms energy: -30.458515
where:
bonds (distance) C4'-P energy: -5.859
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -6.731
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: 2.956
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: 107
Temperature: 0.900000
Total energy: -193.288637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.288637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.288637 (E_RNA)
where:
Base-Base interactions energy: -130.887
where: short stacking energy: -62.687
Base-Backbone interact. energy: -0.291
local terms energy: -62.110677
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -17.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -191.718895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.718895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.718895 (E_RNA)
where:
Base-Base interactions energy: -129.685
where: short stacking energy: -60.406
Base-Backbone interact. energy: -0.160
local terms energy: -61.874493
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -16.994
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: 9
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -183.178988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.178988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.178988 (E_RNA)
where:
Base-Base interactions energy: -127.762
where: short stacking energy: -48.211
Base-Backbone interact. energy: -0.028
local terms energy: -55.388868
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -11.781
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: 107
Temperature: 1.050000
Total energy: -183.903768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.903768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.903768 (E_RNA)
where:
Base-Base interactions energy: -127.265
where: short stacking energy: -59.209
Base-Backbone interact. energy: -0.017
local terms energy: -56.621855
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -13.450
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: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -180.113938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.113938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.113938 (E_RNA)
where:
Base-Base interactions energy: -123.953
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.006
local terms energy: -56.154578
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -175.349547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.349547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.349547 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -52.402
Base-Backbone interact. energy: -0.000
local terms energy: -56.382405
where:
bonds (distance) C4'-P energy: -7.113
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -15.820
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: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -177.301285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.301285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.301285 (E_RNA)
where:
Base-Base interactions energy: -122.515
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.487
local terms energy: -54.298921
where:
bonds (distance) C4'-P energy: -8.255
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -132.930674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.930674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.930674 (E_RNA)
where:
Base-Base interactions energy: -86.959
where: short stacking energy: -44.695
Base-Backbone interact. energy: -0.087
local terms energy: -45.884955
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -70.634365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.634365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.634365 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -24.915
Base-Backbone interact. energy: -0.295
local terms energy: -39.684248
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -7.607
flat angles C4'-P-C4' energy: -7.619
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -64.562779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.562779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.562779 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.039
local terms energy: -36.432590
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -8.881
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -4.081
tors. eta vs tors. theta energy: -2.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -191.293191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.293191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.293191 (E_RNA)
where:
Base-Base interactions energy: -129.615
where: short stacking energy: -59.644
Base-Backbone interact. energy: -0.001
local terms energy: -61.677262
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -188.612980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.612980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612980 (E_RNA)
where:
Base-Base interactions energy: -127.873
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.010
local terms energy: -60.729935
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -13.520
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: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -188.952421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.952421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.952421 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -60.726
Base-Backbone interact. energy: -0.002
local terms energy: -62.884993
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -10.412
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: 4, replica: 9
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -178.502985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.502985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.502985 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -49.858
Base-Backbone interact. energy: -0.137
local terms energy: -54.500069
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -186.300328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.300328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.300328 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.263
local terms energy: -61.034052
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -182.052881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.052881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.052881 (E_RNA)
where:
Base-Base interactions energy: -121.435
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.001
local terms energy: -60.616385
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -171.206075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.206075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.206075 (E_RNA)
where:
Base-Base interactions energy: -115.914
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.015
local terms energy: -55.276899
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -90.370410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.370410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.370410 (E_RNA)
where:
Base-Base interactions energy: -53.752
where: short stacking energy: -25.798
Base-Backbone interact. energy: -1.456
local terms energy: -35.162589
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -4.841
tors. eta vs tors. theta energy: 0.345
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: 108
Temperature: 1.300000
Total energy: -67.509031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.509031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.509031 (E_RNA)
where:
Base-Base interactions energy: -31.051
where: short stacking energy: -31.051
Base-Backbone interact. energy: 1.202
local terms energy: -37.659243
where:
bonds (distance) C4'-P energy: -7.456
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -74.108882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.108882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.108882 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -21.697
Base-Backbone interact. energy: -0.001
local terms energy: -43.211501
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -7.026
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -195.255774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.255774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.255774 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.241
local terms energy: -63.436307
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -16.066
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: 3
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -189.721901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.721901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.721901 (E_RNA)
where:
Base-Base interactions energy: -130.239
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.000
local terms energy: -59.482948
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -189.723109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.723109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.723109 (E_RNA)
where:
Base-Base interactions energy: -135.557
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.000
local terms energy: -54.165807
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -180.624640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.624640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.624640 (E_RNA)
where:
Base-Base interactions energy: -120.203
where: short stacking energy: -53.515
Base-Backbone interact. energy: -0.103
local terms energy: -60.318761
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -6.013
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -178.641018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.641018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.641018 (E_RNA)
where:
Base-Base interactions energy: -122.057
where: short stacking energy: -51.166
Base-Backbone interact. energy: -0.260
local terms energy: -56.324601
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -11.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -179.116111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.116111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.116111 (E_RNA)
where:
Base-Base interactions energy: -128.207
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.047
local terms energy: -50.862234
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -179.736520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.736520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.736520 (E_RNA)
where:
Base-Base interactions energy: -122.064
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.011
local terms energy: -57.661926
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -6.931
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -76.912105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.912105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.912105 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.098
local terms energy: -46.756881
where:
bonds (distance) C4'-P energy: -10.972
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -69.233794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.233794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.233794 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -30.744
Base-Backbone interact. energy: -0.026
local terms energy: -38.463462
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -10.163
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -92.653571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.653571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.653571 (E_RNA)
where:
Base-Base interactions energy: -51.282
where: short stacking energy: -24.293
Base-Backbone interact. energy: -0.081
local terms energy: -41.291312
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -5.991
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -5.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -186.729101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.729101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.729101 (E_RNA)
where:
Base-Base interactions energy: -126.435
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.017
local terms energy: -60.276812
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -11.755
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -195.141163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.141163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.141163 (E_RNA)
where:
Base-Base interactions energy: -134.824
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.001
local terms energy: -60.316446
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -12.049
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.283
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -184.918601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.918601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.918601 (E_RNA)
where:
Base-Base interactions energy: -124.572
where: short stacking energy: -57.904
Base-Backbone interact. energy: -0.004
local terms energy: -60.342428
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -12.327
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -15.145
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: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -176.192397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.192397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.192397 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.001
local terms energy: -49.862472
where:
bonds (distance) C4'-P energy: -6.474
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -12.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -182.846301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.846301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.846301 (E_RNA)
where:
Base-Base interactions energy: -125.917
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.000
local terms energy: -56.929388
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -4.936
tors. eta vs tors. theta energy: -16.373
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: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -175.086536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.086536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086536 (E_RNA)
where:
Base-Base interactions energy: -118.252
where: short stacking energy: -56.205
Base-Backbone interact. energy: -0.483
local terms energy: -56.350634
where:
bonds (distance) C4'-P energy: -9.393
bonds (distance) P-C4' energy: -11.351
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -172.805057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.805057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.805057 (E_RNA)
where:
Base-Base interactions energy: -118.156
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.021
local terms energy: -54.628716
where:
bonds (distance) C4'-P energy: -7.129
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -14.412
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: 8
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -82.883715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883715 (E_RNA)
where:
Base-Base interactions energy: -32.522
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.025
local terms energy: -50.336589
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -111.891158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.891158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.891158 (E_RNA)
where:
Base-Base interactions energy: -68.919
where: short stacking energy: -30.883
Base-Backbone interact. energy: -0.825
local terms energy: -42.146802
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -62.582007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.582007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.582007 (E_RNA)
where:
Base-Base interactions energy: -24.979
where: short stacking energy: -24.971
Base-Backbone interact. energy: -0.102
local terms energy: -37.500217
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -7.936
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -193.836531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.836531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.836531 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -60.341
Base-Backbone interact. energy: -0.576
local terms energy: -63.595362
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -16.937
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: 2, replica: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -192.738391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.738391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.738391 (E_RNA)
where:
Base-Base interactions energy: -131.399
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.032
local terms energy: -61.307881
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -14.458
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: 3, replica: 7
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -195.182720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.182720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.182720 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -63.369
Base-Backbone interact. energy: -0.043
local terms energy: -63.878355
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -190.433348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.433348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.433348 (E_RNA)
where:
Base-Base interactions energy: -126.382
where: short stacking energy: -53.146
Base-Backbone interact. energy: -0.004
local terms energy: -64.047137
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -176.269585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.269585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.269585 (E_RNA)
where:
Base-Base interactions energy: -126.963
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.318
local terms energy: -48.988360
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -7.878
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -3.519
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: 6, replica: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -178.092630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.092630 (E_RNA)
where:
Base-Base interactions energy: -119.096
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.002
local terms energy: -58.994527
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -17.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -177.171726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.171726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.171726 (E_RNA)
where:
Base-Base interactions energy: -122.361
where: short stacking energy: -53.610
Base-Backbone interact. energy: 0.065
local terms energy: -54.875520
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -9.255
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -68.371694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.371694 (E_RNA)
where:
Base-Base interactions energy: -23.281
where: short stacking energy: -22.542
Base-Backbone interact. energy: -0.158
local terms energy: -44.932564
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -8.349
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -70.517362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.517362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.517362 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -28.776
Base-Backbone interact. energy: -0.060
local terms energy: -39.259030
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -2.277
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: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -69.226004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.226004 (E_RNA)
where:
Base-Base interactions energy: -26.679
where: short stacking energy: -19.926
Base-Backbone interact. energy: -0.270
local terms energy: -42.277060
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -5.859
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: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -194.700190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.700190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.700190 (E_RNA)
where:
Base-Base interactions energy: -132.718
where: short stacking energy: -60.078
Base-Backbone interact. energy: -0.301
local terms energy: -61.681678
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -192.189954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.189954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.189954 (E_RNA)
where:
Base-Base interactions energy: -136.541
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.003
local terms energy: -55.646143
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -14.308
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: 112
Temperature: 1.000000
Total energy: -186.558314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.558314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.558314 (E_RNA)
where:
Base-Base interactions energy: -127.922
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.000
local terms energy: -58.635891
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -12.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -193.182329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.182329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.182329 (E_RNA)
where:
Base-Base interactions energy: -132.284
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.003
local terms energy: -60.895009
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -17.656
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: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -181.494842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.494842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.494842 (E_RNA)
where:
Base-Base interactions energy: -130.285
where: short stacking energy: -63.689
Base-Backbone interact. energy: -0.001
local terms energy: -51.208802
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -8.360
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -15.645
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: 112
Temperature: 1.150000
Total energy: -172.678271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.678271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.678271 (E_RNA)
where:
Base-Base interactions energy: -117.832
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.087
local terms energy: -54.758773
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -7.785
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -171.493324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.493324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.493324 (E_RNA)
where:
Base-Base interactions energy: -116.949
where: short stacking energy: -51.264
Base-Backbone interact. energy: -0.001
local terms energy: -54.543202
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -11.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -65.171705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.171705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.171705 (E_RNA)
where:
Base-Base interactions energy: -23.337
where: short stacking energy: -11.141
Base-Backbone interact. energy: -0.030
local terms energy: -41.804162
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -87.439227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.439227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.439227 (E_RNA)
where:
Base-Base interactions energy: -50.524
where: short stacking energy: -20.812
Base-Backbone interact. energy: -0.235
local terms energy: -36.680454
where:
bonds (distance) C4'-P energy: -6.661
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -6.717
flat angles P-C4'-P energy: -5.419
tors. eta vs tors. theta energy: -7.164
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: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -63.144304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.144304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.144304 (E_RNA)
where:
Base-Base interactions energy: -29.538
where: short stacking energy: -26.453
Base-Backbone interact. energy: 0.143
local terms energy: -33.748751
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -3.553
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -191.220885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.220885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.220885 (E_RNA)
where:
Base-Base interactions energy: -132.239
where: short stacking energy: -60.846
Base-Backbone interact. energy: -0.000
local terms energy: -58.981799
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.877
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -190.879279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.879279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.879279 (E_RNA)
where:
Base-Base interactions energy: -128.742
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.035
local terms energy: -62.102162
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.372
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: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -191.509925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.509925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.509925 (E_RNA)
where:
Base-Base interactions energy: -129.831
where: short stacking energy: -59.648
Base-Backbone interact. energy: 0.150
local terms energy: -61.829554
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -176.429340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429340 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.012
local terms energy: -54.638973
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -12.758
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: 7
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -189.230965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.230965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.230965 (E_RNA)
where:
Base-Base interactions energy: -128.220
where: short stacking energy: -55.667
Base-Backbone interact. energy: -0.026
local terms energy: -60.985274
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -180.243130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.243130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.243130 (E_RNA)
where:
Base-Base interactions energy: -124.716
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.013
local terms energy: -55.514008
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -174.665266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.665266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.665266 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -54.416
Base-Backbone interact. energy: -0.001
local terms energy: -52.523661
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -10.233
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -13.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -70.406020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.406020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.406020 (E_RNA)
where:
Base-Base interactions energy: -30.985
where: short stacking energy: -18.032
Base-Backbone interact. energy: -0.419
local terms energy: -39.001355
where:
bonds (distance) C4'-P energy: -8.704
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -72.295322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.295322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.295322 (E_RNA)
where:
Base-Base interactions energy: -23.456
where: short stacking energy: -23.456
Base-Backbone interact. energy: -0.034
local terms energy: -48.804543
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -64.984945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.984945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.984945 (E_RNA)
where:
Base-Base interactions energy: -22.042
where: short stacking energy: -20.818
Base-Backbone interact. energy: -0.092
local terms energy: -42.850018
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -190.530834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.530834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.530834 (E_RNA)
where:
Base-Base interactions energy: -130.296
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.008
local terms energy: -60.226315
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -14.992
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: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -196.492090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.492090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.492090 (E_RNA)
where:
Base-Base interactions energy: -135.228
where: short stacking energy: -62.939
Base-Backbone interact. energy: -0.012
local terms energy: -61.251374
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -15.573
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: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -182.853905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.853905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.853905 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -59.515
Base-Backbone interact. energy: -0.001
local terms energy: -51.751451
where:
bonds (distance) C4'-P energy: -7.448
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -12.628
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -188.466597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.466597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.466597 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -58.238
Base-Backbone interact. energy: 0.576
local terms energy: -60.678949
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -16.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -185.611051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.611051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.611051 (E_RNA)
where:
Base-Base interactions energy: -122.548
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.002
local terms energy: -63.060772
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -15.713
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: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -182.421146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.421146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.421146 (E_RNA)
where:
Base-Base interactions energy: -124.599
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.001
local terms energy: -57.820867
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -15.323
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: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -180.399637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.399637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.399637 (E_RNA)
where:
Base-Base interactions energy: -121.601
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.001
local terms energy: -58.797047
where:
bonds (distance) C4'-P energy: -8.007
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -17.532
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: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -81.473419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.473419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.473419 (E_RNA)
where:
Base-Base interactions energy: -38.095
where: short stacking energy: -24.221
Base-Backbone interact. energy: -0.081
local terms energy: -43.297183
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -74.524418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.524418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.524418 (E_RNA)
where:
Base-Base interactions energy: -31.729
where: short stacking energy: -31.717
Base-Backbone interact. energy: 0.039
local terms energy: -42.834981
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -5.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -66.132228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.132228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.132228 (E_RNA)
where:
Base-Base interactions energy: -22.911
where: short stacking energy: -19.708
Base-Backbone interact. energy: -0.101
local terms energy: -43.120367
where:
bonds (distance) C4'-P energy: -5.598
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -4.911
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: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -191.813092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.813092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.813092 (E_RNA)
where:
Base-Base interactions energy: -126.825
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.005
local terms energy: -64.983225
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -193.413962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.413962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.413962 (E_RNA)
where:
Base-Base interactions energy: -135.103
where: short stacking energy: -65.093
Base-Backbone interact. energy: -0.000
local terms energy: -58.310703
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -8.118
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -192.112803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.112803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.112803 (E_RNA)
where:
Base-Base interactions energy: -133.307
where: short stacking energy: -62.493
Base-Backbone interact. energy: -0.037
local terms energy: -58.768863
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -187.870087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.870087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.870087 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -62.106
Base-Backbone interact. energy: -0.003
local terms energy: -57.647013
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -16.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -187.679010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.679010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.679010 (E_RNA)
where:
Base-Base interactions energy: -123.895
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.005
local terms energy: -63.779429
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -180.057526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.057526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.057526 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -57.520
Base-Backbone interact. energy: -0.005
local terms energy: -51.867485
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -12.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -181.116463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.116463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116463 (E_RNA)
where:
Base-Base interactions energy: -122.115
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.239
local terms energy: -58.762491
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -12.360
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: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.774101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774101 (E_RNA)
where:
Base-Base interactions energy: -52.176
where: short stacking energy: -35.953
Base-Backbone interact. energy: 1.776
local terms energy: -40.374129
where:
bonds (distance) C4'-P energy: -7.543
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -4.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -66.227775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.227775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.227775 (E_RNA)
where:
Base-Base interactions energy: -21.862
where: short stacking energy: -21.862
Base-Backbone interact. energy: -0.326
local terms energy: -44.039453
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -2.870
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: 115
Temperature: 1.350000
Total energy: -68.590492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.590492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.590492 (E_RNA)
where:
Base-Base interactions energy: -29.745
where: short stacking energy: -25.728
Base-Backbone interact. energy: 0.785
local terms energy: -39.630481
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -9.690
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -1.788
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: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -198.310001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310001 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.000
local terms energy: -62.334457
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -191.665182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.665182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.665182 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -57.298
Base-Backbone interact. energy: -0.000
local terms energy: -57.643731
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -180.589178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.589178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.589178 (E_RNA)
where:
Base-Base interactions energy: -123.701
where: short stacking energy: -49.736
Base-Backbone interact. energy: -0.008
local terms energy: -56.879568
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -10.593
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -15.308
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: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -183.762782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.762782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.762782 (E_RNA)
where:
Base-Base interactions energy: -127.635
where: short stacking energy: -62.289
Base-Backbone interact. energy: -0.000
local terms energy: -56.127583
where:
bonds (distance) C4'-P energy: -9.954
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -13.381
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: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -185.277943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.277943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.277943 (E_RNA)
where:
Base-Base interactions energy: -125.128
where: short stacking energy: -55.620
Base-Backbone interact. energy: -0.030
local terms energy: -60.119771
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -13.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -179.729409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.729409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.729409 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -53.635
Base-Backbone interact. energy: -0.000
local terms energy: -56.666209
where:
bonds (distance) C4'-P energy: -8.055
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -14.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -185.430701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.430701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.430701 (E_RNA)
where:
Base-Base interactions energy: -123.844
where: short stacking energy: -53.474
Base-Backbone interact. energy: -1.399
local terms energy: -60.188335
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -14.352
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: 8, replica: 8
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -83.951955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.951955 (E_RNA)
where:
Base-Base interactions energy: -31.322
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.205
local terms energy: -52.424439
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -84.358737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.358737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.358737 (E_RNA)
where:
Base-Base interactions energy: -42.986
where: short stacking energy: -19.126
Base-Backbone interact. energy: 0.038
local terms energy: -41.410223
where:
bonds (distance) C4'-P energy: -8.620
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -8.944
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -3.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -61.734347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.734347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.734347 (E_RNA)
where:
Base-Base interactions energy: -28.544
where: short stacking energy: -21.525
Base-Backbone interact. energy: -0.105
local terms energy: -33.084537
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -10.796
flat angles P-C4'-P energy: -3.163
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -196.045716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.045716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.045716 (E_RNA)
where:
Base-Base interactions energy: -131.631
where: short stacking energy: -61.516
Base-Backbone interact. energy: -0.000
local terms energy: -64.414173
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -189.354258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.354258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.354258 (E_RNA)
where:
Base-Base interactions energy: -132.688
where: short stacking energy: -61.224
Base-Backbone interact. energy: -0.128
local terms energy: -56.538285
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -188.437331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.437331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.437331 (E_RNA)
where:
Base-Base interactions energy: -129.817
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.000
local terms energy: -58.620267
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -15.982
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: 117
Temperature: 1.050000
Total energy: -182.144554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.144554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.144554 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -56.409
Base-Backbone interact. energy: -0.097
local terms energy: -53.164578
where:
bonds (distance) C4'-P energy: -8.564
bonds (distance) P-C4' energy: -7.044
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -14.822
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: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -189.701846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.701846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.701846 (E_RNA)
where:
Base-Base interactions energy: -132.499
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.013
local terms energy: -57.190592
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -11.985
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -172.047120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.047120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.047120 (E_RNA)
where:
Base-Base interactions energy: -128.619
where: short stacking energy: -58.044
Base-Backbone interact. energy: -0.040
local terms energy: -43.387568
where:
bonds (distance) C4'-P energy: -9.070
bonds (distance) P-C4' energy: -10.477
flat angles C4'-P-C4' energy: -6.684
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -12.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -178.446127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.446127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.446127 (E_RNA)
where:
Base-Base interactions energy: -124.847
where: short stacking energy: -61.279
Base-Backbone interact. energy: 0.429
local terms energy: -54.028796
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -8.257
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -17.099
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: 1
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -70.527230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.527230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.527230 (E_RNA)
where:
Base-Base interactions energy: -23.408
where: short stacking energy: -23.408
Base-Backbone interact. energy: 0.609
local terms energy: -47.727896
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -4.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -115.126276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.126276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.126276 (E_RNA)
where:
Base-Base interactions energy: -68.314
where: short stacking energy: -38.319
Base-Backbone interact. energy: -0.210
local terms energy: -46.602576
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -11.153
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -62.630454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.630454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.630454 (E_RNA)
where:
Base-Base interactions energy: -18.969
where: short stacking energy: -18.934
Base-Backbone interact. energy: -0.221
local terms energy: -43.440588
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -191.000075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.000075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.000075 (E_RNA)
where:
Base-Base interactions energy: -131.517
where: short stacking energy: -59.071
Base-Backbone interact. energy: 0.027
local terms energy: -59.510599
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -187.864288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.864288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.864288 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -58.688
Base-Backbone interact. energy: -0.257
local terms energy: -59.366903
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -190.861559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.861559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.861559 (E_RNA)
where:
Base-Base interactions energy: -131.785
where: short stacking energy: -59.844
Base-Backbone interact. energy: -0.000
local terms energy: -59.075883
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.997
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: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -183.475592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.475592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.475592 (E_RNA)
where:
Base-Base interactions energy: -124.646
where: short stacking energy: -56.154
Base-Backbone interact. energy: -0.000
local terms energy: -58.829546
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -13.610
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: 7
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -183.496368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.496368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.496368 (E_RNA)
where:
Base-Base interactions energy: -122.012
where: short stacking energy: -57.318
Base-Backbone interact. energy: 0.582
local terms energy: -62.065746
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -179.214837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.214837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.214837 (E_RNA)
where:
Base-Base interactions energy: -123.301
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.000
local terms energy: -55.913960
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -176.174259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.174259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.174259 (E_RNA)
where:
Base-Base interactions energy: -127.071
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.039
local terms energy: -49.064577
where:
bonds (distance) C4'-P energy: -4.783
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -13.898
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: 1
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -74.829533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.829533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.829533 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -29.182
Base-Backbone interact. energy: 0.363
local terms energy: -40.816718
where:
bonds (distance) C4'-P energy: -6.259
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -4.803
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: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -82.984395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984395 (E_RNA)
where:
Base-Base interactions energy: -39.959
where: short stacking energy: -39.959
Base-Backbone interact. energy: -0.007
local terms energy: -43.018244
where:
bonds (distance) C4'-P energy: -8.611
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -8.613
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: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -98.506162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.506162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.506162 (E_RNA)
where:
Base-Base interactions energy: -57.440
where: short stacking energy: -30.324
Base-Backbone interact. energy: -0.115
local terms energy: -40.950816
where:
bonds (distance) C4'-P energy: -7.469
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -5.808
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -186.485291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.485291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.485291 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.005
local terms energy: -56.780676
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -8.859
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -194.513290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.513290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.513290 (E_RNA)
where:
Base-Base interactions energy: -129.834
where: short stacking energy: -58.845
Base-Backbone interact. energy: -0.001
local terms energy: -64.678372
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.279
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: 3, replica: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -180.021295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.021295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.021295 (E_RNA)
where:
Base-Base interactions energy: -122.428
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.018
local terms energy: -57.575542
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -12.493
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: 7
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -187.667702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.667702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.667702 (E_RNA)
where:
Base-Base interactions energy: -126.833
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.002
local terms energy: -60.832785
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -16.199
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: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -181.999015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.999015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.999015 (E_RNA)
where:
Base-Base interactions energy: -124.328
where: short stacking energy: -55.933
Base-Backbone interact. energy: -0.016
local terms energy: -57.654776
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -13.512
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: 119
Temperature: 1.150000
Total energy: -173.367470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.367470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.367470 (E_RNA)
where:
Base-Base interactions energy: -121.286
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.002
local terms energy: -52.080107
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -8.845
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -10.598
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: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -179.237413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.237413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.237413 (E_RNA)
where:
Base-Base interactions energy: -127.100
where: short stacking energy: -59.316
Base-Backbone interact. energy: 0.223
local terms energy: -52.360423
where:
bonds (distance) C4'-P energy: -4.893
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -4.950
tors. eta vs tors. theta energy: -16.513
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: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -74.963288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.963288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.963288 (E_RNA)
where:
Base-Base interactions energy: -33.446
where: short stacking energy: -26.632
Base-Backbone interact. energy: -0.683
local terms energy: -40.833943
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -1.590
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -62.600459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.600459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.600459 (E_RNA)
where:
Base-Base interactions energy: -20.558
where: short stacking energy: -20.558
Base-Backbone interact. energy: -0.091
local terms energy: -41.951835
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -7.747
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -83.016181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.016181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.016181 (E_RNA)
where:
Base-Base interactions energy: -49.015
where: short stacking energy: -24.922
Base-Backbone interact. energy: -0.143
local terms energy: -33.858057
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -7.466
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -1.820
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: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -186.918646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.918646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.918646 (E_RNA)
where:
Base-Base interactions energy: -131.379
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.013
local terms energy: -55.527107
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -9.644
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -190.569170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.569170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.569170 (E_RNA)
where:
Base-Base interactions energy: -134.553
where: short stacking energy: -60.875
Base-Backbone interact. energy: -0.020
local terms energy: -55.996667
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -193.460321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.460321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.460321 (E_RNA)
where:
Base-Base interactions energy: -130.211
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.001
local terms energy: -63.248040
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -11.453
tors. eta vs tors. theta energy: -17.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -183.366170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366170 (E_RNA)
where:
Base-Base interactions energy: -123.634
where: short stacking energy: -55.117
Base-Backbone interact. energy: -0.002
local terms energy: -59.730803
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -11.143
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: 9
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -179.912002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.912002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.912002 (E_RNA)
where:
Base-Base interactions energy: -124.237
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.003
local terms energy: -55.671225
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -8.723
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -13.751
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: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -180.096564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.096564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.096564 (E_RNA)
where:
Base-Base interactions energy: -126.427
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.270
local terms energy: -53.399479
where:
bonds (distance) C4'-P energy: -7.231
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -9.472
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -14.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -178.137038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.137038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.137038 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.002
local terms energy: -56.953636
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -9.631
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -15.292
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: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -74.540057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.540057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.540057 (E_RNA)
where:
Base-Base interactions energy: -31.496
where: short stacking energy: -31.008
Base-Backbone interact. energy: -0.002
local terms energy: -43.042172
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -7.402
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -6.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -70.793287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.793287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.793287 (E_RNA)
where:
Base-Base interactions energy: -29.080
where: short stacking energy: -27.787
Base-Backbone interact. energy: -0.920
local terms energy: -40.792842
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -68.531620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.531620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.531620 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -33.410
Base-Backbone interact. energy: -0.050
local terms energy: -35.071836
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -6.826
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -3.859
tors. eta vs tors. theta energy: -3.789
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -193.480815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.480815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.480815 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.358
local terms energy: -59.229784
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -6.741
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -191.177263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.177263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.177263 (E_RNA)
where:
Base-Base interactions energy: -127.484
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.010
local terms energy: -63.683735
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -192.399842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.399842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.399842 (E_RNA)
where:
Base-Base interactions energy: -130.908
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.010
local terms energy: -61.481778
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -190.325036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.325036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.325036 (E_RNA)
where:
Base-Base interactions energy: -132.223
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.007
local terms energy: -58.094430
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -17.318
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: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -181.878755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.878755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.878755 (E_RNA)
where:
Base-Base interactions energy: -122.689
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.076
local terms energy: -59.113802
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -178.825655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.825655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.825655 (E_RNA)
where:
Base-Base interactions energy: -121.133
where: short stacking energy: -56.366
Base-Backbone interact. energy: -0.012
local terms energy: -57.680683
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -176.859811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.859811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.859811 (E_RNA)
where:
Base-Base interactions energy: -122.094
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.004
local terms energy: -54.761718
where:
bonds (distance) C4'-P energy: -8.727
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -71.810453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.810453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.810453 (E_RNA)
where:
Base-Base interactions energy: -36.332
where: short stacking energy: -25.014
Base-Backbone interact. energy: -0.204
local terms energy: -35.274576
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: 0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -70.812273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.812273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.812273 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.002
local terms energy: -43.179913
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -3.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -67.702319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.702319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.702319 (E_RNA)
where:
Base-Base interactions energy: -26.127
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.102
local terms energy: -41.473318
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -7.545
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -1.678
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: 122
Temperature: 0.900000
Total energy: -188.951669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.951669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.951669 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.102
local terms energy: -60.851354
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -8.011
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -193.793408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.793408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.793408 (E_RNA)
where:
Base-Base interactions energy: -131.345
where: short stacking energy: -61.743
Base-Backbone interact. energy: -0.023
local terms energy: -62.425379
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -8.932
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -16.577
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: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -191.795121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.795121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.795121 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -61.082
Base-Backbone interact. energy: -0.006
local terms energy: -57.604035
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -10.493
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -17.337
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: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -186.243445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.243445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.243445 (E_RNA)
where:
Base-Base interactions energy: -126.797
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.060
local terms energy: -59.385636
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -178.939309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.939309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.939309 (E_RNA)
where:
Base-Base interactions energy: -122.634
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.002
local terms energy: -56.302782
where:
bonds (distance) C4'-P energy: -9.693
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -175.997690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.997690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.997690 (E_RNA)
where:
Base-Base interactions energy: -127.013
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.175
local terms energy: -48.809719
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -14.098
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: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -174.929031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.929031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.929031 (E_RNA)
where:
Base-Base interactions energy: -123.737
where: short stacking energy: -53.780
Base-Backbone interact. energy: -0.004
local terms energy: -51.187907
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -9.414
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -6.667
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: 8, replica: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -81.991747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.991747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.991747 (E_RNA)
where:
Base-Base interactions energy: -43.691
where: short stacking energy: -23.702
Base-Backbone interact. energy: -0.030
local terms energy: -38.271026
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -64.888241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.888241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.888241 (E_RNA)
where:
Base-Base interactions energy: -28.579
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.004
local terms energy: -36.305210
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: 2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -65.614901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.614901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.614901 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -25.028
Base-Backbone interact. energy: -0.308
local terms energy: -37.409994
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -7.680
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: 1.052
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: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -191.914235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.914235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.914235 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.612
local terms energy: -61.486459
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -196.754666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.754666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.754666 (E_RNA)
where:
Base-Base interactions energy: -134.413
where: short stacking energy: -65.157
Base-Backbone interact. energy: 0.557
local terms energy: -62.898885
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -14.198
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: 123
Temperature: 1.000000
Total energy: -185.410512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.410512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.410512 (E_RNA)
where:
Base-Base interactions energy: -128.594
where: short stacking energy: -56.701
Base-Backbone interact. energy: -0.072
local terms energy: -56.744355
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -184.210091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.210091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.210091 (E_RNA)
where:
Base-Base interactions energy: -126.077
where: short stacking energy: -55.280
Base-Backbone interact. energy: -0.008
local terms energy: -58.125260
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -190.927164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.927164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927164 (E_RNA)
where:
Base-Base interactions energy: -134.186
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.003
local terms energy: -56.737960
where:
bonds (distance) C4'-P energy: -6.863
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -176.809687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.809687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.809687 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -54.869
Base-Backbone interact. energy: -0.002
local terms energy: -56.137380
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -10.588
flat angles C4'-P-C4' energy: -10.029
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -181.470418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.470418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.470418 (E_RNA)
where:
Base-Base interactions energy: -128.243
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.068
local terms energy: -53.159120
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -74.441993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.441993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.441993 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -33.677
Base-Backbone interact. energy: -0.018
local terms energy: -38.309060
where:
bonds (distance) C4'-P energy: -5.891
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -66.601946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.601946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.601946 (E_RNA)
where:
Base-Base interactions energy: -26.313
where: short stacking energy: -21.685
Base-Backbone interact. energy: 0.546
local terms energy: -40.834614
where:
bonds (distance) C4'-P energy: -8.441
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -71.793821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.793821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.793821 (E_RNA)
where:
Base-Base interactions energy: -24.650
where: short stacking energy: -24.650
Base-Backbone interact. energy: 0.753
local terms energy: -47.896982
where:
bonds (distance) C4'-P energy: -10.690
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -1.186
tors. eta vs tors. theta energy: -9.567
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: 9
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -189.135284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.135284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.135284 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.073
local terms energy: -58.199937
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -189.593588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.593588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.593588 (E_RNA)
where:
Base-Base interactions energy: -128.051
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.000
local terms energy: -61.542521
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -185.961555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.961555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.961555 (E_RNA)
where:
Base-Base interactions energy: -124.196
where: short stacking energy: -48.395
Base-Backbone interact. energy: -0.264
local terms energy: -61.501218
where:
bonds (distance) C4'-P energy: -11.791
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -13.143
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: 124
Temperature: 1.050000
Total energy: -188.093574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.093574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.093574 (E_RNA)
where:
Base-Base interactions energy: -130.653
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.330
local terms energy: -57.110574
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.624
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: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -178.027347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.027347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.027347 (E_RNA)
where:
Base-Base interactions energy: -129.432
where: short stacking energy: -53.483
Base-Backbone interact. energy: -0.340
local terms energy: -48.255643
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -8.594
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -177.348459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.348459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.348459 (E_RNA)
where:
Base-Base interactions energy: -123.314
where: short stacking energy: -57.155
Base-Backbone interact. energy: -0.001
local terms energy: -54.033316
where:
bonds (distance) C4'-P energy: -9.570
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -12.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -178.665911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.665911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.665911 (E_RNA)
where:
Base-Base interactions energy: -125.789
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.044
local terms energy: -52.833044
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -6.349
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: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -70.192257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.192257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.192257 (E_RNA)
where:
Base-Base interactions energy: -28.349
where: short stacking energy: -21.009
Base-Backbone interact. energy: -0.240
local terms energy: -41.603638
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -6.919
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -2.305
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: 4
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -69.289040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.289040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.289040 (E_RNA)
where:
Base-Base interactions energy: -31.401
where: short stacking energy: -25.536
Base-Backbone interact. energy: -0.405
local terms energy: -37.482440
where:
bonds (distance) C4'-P energy: -8.955
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: 2.504
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: 124
Temperature: 1.350000
Total energy: -89.101858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.101858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.101858 (E_RNA)
where:
Base-Base interactions energy: -52.555
where: short stacking energy: -25.741
Base-Backbone interact. energy: -0.445
local terms energy: -36.102075
where:
bonds (distance) C4'-P energy: -6.305
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -6.588
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -190.619092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.619092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.619092 (E_RNA)
where:
Base-Base interactions energy: -125.789
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.002
local terms energy: -64.828634
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -189.753024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.753024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.753024 (E_RNA)
where:
Base-Base interactions energy: -133.131
where: short stacking energy: -62.442
Base-Backbone interact. energy: -0.061
local terms energy: -56.561465
where:
bonds (distance) C4'-P energy: -9.610
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -14.846
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: 125
Temperature: 1.000000
Total energy: -184.758274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.758274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.758274 (E_RNA)
where:
Base-Base interactions energy: -127.822
where: short stacking energy: -51.860
Base-Backbone interact. energy: -0.101
local terms energy: -56.835075
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -179.596787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.596787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.596787 (E_RNA)
where:
Base-Base interactions energy: -124.550
where: short stacking energy: -50.799
Base-Backbone interact. energy: -0.082
local terms energy: -54.964233
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -11.352
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: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -181.024464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.024464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.024464 (E_RNA)
where:
Base-Base interactions energy: -125.590
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.001
local terms energy: -55.433306
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -7.742
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -182.753012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.753012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.753012 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.010
local terms energy: -60.038684
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -176.862075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.862075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.862075 (E_RNA)
where:
Base-Base interactions energy: -122.905
where: short stacking energy: -50.732
Base-Backbone interact. energy: -0.178
local terms energy: -53.779337
where:
bonds (distance) C4'-P energy: -7.881
bonds (distance) P-C4' energy: -10.321
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -65.754189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.754189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.754189 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.284
local terms energy: -36.518826
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: 1.351
tors. eta vs tors. theta energy: -1.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -73.688200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.688200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.688200 (E_RNA)
where:
Base-Base interactions energy: -52.104
where: short stacking energy: -18.880
Base-Backbone interact. energy: 0.194
local terms energy: -21.778537
where:
bonds (distance) C4'-P energy: -6.537
bonds (distance) P-C4' energy: -5.816
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -5.413
tors. eta vs tors. theta energy: 4.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -62.875319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.875319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.875319 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -15.814
Base-Backbone interact. energy: -0.142
local terms energy: -34.702287
where:
bonds (distance) C4'-P energy: -5.238
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -0.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -193.204670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.204670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.204670 (E_RNA)
where:
Base-Base interactions energy: -126.688
where: short stacking energy: -54.850
Base-Backbone interact. energy: 0.491
local terms energy: -67.007518
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -191.011829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.011829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.011829 (E_RNA)
where:
Base-Base interactions energy: -128.068
where: short stacking energy: -57.459
Base-Backbone interact. energy: -0.038
local terms energy: -62.905952
where:
bonds (distance) C4'-P energy: -10.885
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -188.952120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.952120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.952120 (E_RNA)
where:
Base-Base interactions energy: -131.560
where: short stacking energy: -54.430
Base-Backbone interact. energy: -1.294
local terms energy: -56.097996
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -15.318
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: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -179.881621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.881621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.881621 (E_RNA)
where:
Base-Base interactions energy: -120.775
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.107
local terms energy: -58.999639
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -185.332412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332412 (E_RNA)
where:
Base-Base interactions energy: -125.728
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.003
local terms energy: -59.600840
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -9.589
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -15.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -176.160194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.160194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.160194 (E_RNA)
where:
Base-Base interactions energy: -118.207
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.003
local terms energy: -57.949811
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -165.008676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.008676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.008676 (E_RNA)
where:
Base-Base interactions energy: -124.304
where: short stacking energy: -42.634
Base-Backbone interact. energy: -0.109
local terms energy: -40.596125
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -8.906
flat angles C4'-P-C4' energy: -9.144
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -7.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -72.689879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.689879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.689879 (E_RNA)
where:
Base-Base interactions energy: -30.327
where: short stacking energy: -30.327
Base-Backbone interact. energy: -0.057
local terms energy: -42.305705
where:
bonds (distance) C4'-P energy: -7.671
bonds (distance) P-C4' energy: -8.842
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -6.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -75.381257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.381257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.381257 (E_RNA)
where:
Base-Base interactions energy: -38.795
where: short stacking energy: -16.281
Base-Backbone interact. energy: -0.551
local terms energy: -36.035372
where:
bonds (distance) C4'-P energy: -4.543
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -7.253
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -63.423704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.423704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.423704 (E_RNA)
where:
Base-Base interactions energy: -24.740
where: short stacking energy: -24.740
Base-Backbone interact. energy: -0.009
local terms energy: -38.675103
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -3.617
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: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -191.625880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.625880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.625880 (E_RNA)
where:
Base-Base interactions energy: -129.763
where: short stacking energy: -59.182
Base-Backbone interact. energy: -0.015
local terms energy: -61.847509
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -185.998747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.998747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.998747 (E_RNA)
where:
Base-Base interactions energy: -124.773
where: short stacking energy: -51.007
Base-Backbone interact. energy: -0.017
local terms energy: -61.208004
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -185.142669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.142669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.142669 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.339
local terms energy: -59.806740
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -172.713418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.713418 (E_RNA)
where:
Base-Base interactions energy: -121.738
where: short stacking energy: -55.105
Base-Backbone interact. energy: -0.002
local terms energy: -50.973902
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -184.806676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.806676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.806676 (E_RNA)
where:
Base-Base interactions energy: -128.393
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.009
local terms energy: -56.404526
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -177.238303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.238303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.238303 (E_RNA)
where:
Base-Base interactions energy: -120.110
where: short stacking energy: -54.395
Base-Backbone interact. energy: -0.001
local terms energy: -57.127196
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -17.474
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: 127
Temperature: 1.200000
Total energy: -171.158651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158651 (E_RNA)
where:
Base-Base interactions energy: -119.194
where: short stacking energy: -52.039
Base-Backbone interact. energy: 1.213
local terms energy: -53.178333
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -4.319
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -73.072538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.072538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.072538 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.032
local terms energy: -43.648308
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -6.805
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -6.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -89.835416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.835416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.835416 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -19.688
Base-Backbone interact. energy: -0.130
local terms energy: -39.123653
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -10.060
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -64.919871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.919871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.919871 (E_RNA)
where:
Base-Base interactions energy: -23.677
where: short stacking energy: -24.409
Base-Backbone interact. energy: -0.131
local terms energy: -41.112039
where:
bonds (distance) C4'-P energy: -5.229
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -10.342
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -5.197
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: 128
Temperature: 0.900000
Total energy: -191.434353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.434353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.434353 (E_RNA)
where:
Base-Base interactions energy: -136.952
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.200
local terms energy: -54.282774
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -192.963385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.963385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.963385 (E_RNA)
where:
Base-Base interactions energy: -130.221
where: short stacking energy: -58.315
Base-Backbone interact. energy: -0.022
local terms energy: -62.720789
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -183.881850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881850 (E_RNA)
where:
Base-Base interactions energy: -130.288
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.168
local terms energy: -53.425154
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -189.640163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.640163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.640163 (E_RNA)
where:
Base-Base interactions energy: -127.977
where: short stacking energy: -56.082
Base-Backbone interact. energy: -0.000
local terms energy: -61.662811
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -13.607
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: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -181.309319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.309319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.309319 (E_RNA)
where:
Base-Base interactions energy: -128.098
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.002
local terms energy: -53.209119
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -12.779
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: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -172.243534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.243534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.243534 (E_RNA)
where:
Base-Base interactions energy: -117.995
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.103
local terms energy: -54.146292
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -4.517
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -164.831587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.831587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.831587 (E_RNA)
where:
Base-Base interactions energy: -112.434
where: short stacking energy: -48.949
Base-Backbone interact. energy: -0.082
local terms energy: -52.315193
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -3.228
tors. eta vs tors. theta energy: -13.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -69.517420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.517420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.517420 (E_RNA)
where:
Base-Base interactions energy: -23.840
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.110
local terms energy: -45.566844
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -64.710660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.710660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.710660 (E_RNA)
where:
Base-Base interactions energy: -27.163
where: short stacking energy: -27.163
Base-Backbone interact. energy: -0.345
local terms energy: -37.202401
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -7.552
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -72.453399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.453399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.453399 (E_RNA)
where:
Base-Base interactions energy: -40.304
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.311
local terms energy: -31.838933
where:
bonds (distance) C4'-P energy: -6.694
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: 0.438
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -185.847058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.847058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.847058 (E_RNA)
where:
Base-Base interactions energy: -128.148
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.031
local terms energy: -57.667724
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -191.258639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.258639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.258639 (E_RNA)
where:
Base-Base interactions energy: -137.098
where: short stacking energy: -56.056
Base-Backbone interact. energy: -0.155
local terms energy: -54.005619
where:
bonds (distance) C4'-P energy: -9.910
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -9.291
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: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -188.415598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.415598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.415598 (E_RNA)
where:
Base-Base interactions energy: -129.614
where: short stacking energy: -61.063
Base-Backbone interact. energy: 0.716
local terms energy: -59.518125
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -15.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -185.155290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.155290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.155290 (E_RNA)
where:
Base-Base interactions energy: -128.146
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.001
local terms energy: -57.008753
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -176.735339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.735339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.735339 (E_RNA)
where:
Base-Base interactions energy: -120.111
where: short stacking energy: -49.285
Base-Backbone interact. energy: -0.008
local terms energy: -56.617087
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -12.096
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: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -175.342502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.342502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.342502 (E_RNA)
where:
Base-Base interactions energy: -119.952
where: short stacking energy: -53.197
Base-Backbone interact. energy: -0.142
local terms energy: -55.248345
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -181.087520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.087520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.087520 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.007
local terms energy: -56.191532
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -71.299622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.299622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.299622 (E_RNA)
where:
Base-Base interactions energy: -27.911
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.109
local terms energy: -43.279192
where:
bonds (distance) C4'-P energy: -10.227
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -67.945898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.945898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.945898 (E_RNA)
where:
Base-Base interactions energy: -26.462
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.055
local terms energy: -41.429194
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -7.691
flat angles P-C4'-P energy: -3.829
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -66.080912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.080912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.080912 (E_RNA)
where:
Base-Base interactions energy: -27.441
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.099
local terms energy: -38.541132
where:
bonds (distance) C4'-P energy: -5.961
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -9.038
flat angles P-C4'-P energy: -5.841
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: 5
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -187.485652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.485652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.485652 (E_RNA)
where:
Base-Base interactions energy: -125.739
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.095
local terms energy: -61.650960
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -12.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -186.062207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.062207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.062207 (E_RNA)
where:
Base-Base interactions energy: -127.306
where: short stacking energy: -54.621
Base-Backbone interact. energy: -0.008
local terms energy: -58.747591
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -15.625
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: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -195.681120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.681120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.681120 (E_RNA)
where:
Base-Base interactions energy: -131.576
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.044
local terms energy: -64.061031
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -191.448520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448520 (E_RNA)
where:
Base-Base interactions energy: -133.974
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.000
local terms energy: -57.474424
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -186.926058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.926058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.926058 (E_RNA)
where:
Base-Base interactions energy: -128.267
where: short stacking energy: -59.698
Base-Backbone interact. energy: -0.020
local terms energy: -58.638972
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -176.941806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.941806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.941806 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -53.154
Base-Backbone interact. energy: -0.182
local terms energy: -55.381322
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -169.105989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.105989 (E_RNA)
where:
Base-Base interactions energy: -117.383
where: short stacking energy: -50.254
Base-Backbone interact. energy: -0.000
local terms energy: -51.722820
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -15.469
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: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -74.526313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.526313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.526313 (E_RNA)
where:
Base-Base interactions energy: -29.547
where: short stacking energy: -29.547
Base-Backbone interact. energy: -0.054
local terms energy: -44.925222
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -5.421
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: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -68.134820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.134820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.134820 (E_RNA)
where:
Base-Base interactions energy: -31.448
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.069
local terms energy: -36.617298
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -1.751
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -64.716491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.716491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.716491 (E_RNA)
where:
Base-Base interactions energy: -21.830
where: short stacking energy: -21.830
Base-Backbone interact. energy: -0.084
local terms energy: -42.803136
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -195.750189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.750189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.750189 (E_RNA)
where:
Base-Base interactions energy: -135.567
where: short stacking energy: -59.032
Base-Backbone interact. energy: -0.738
local terms energy: -59.445201
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -15.599
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: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -191.228549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.228549 (E_RNA)
where:
Base-Base interactions energy: -131.101
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.005
local terms energy: -60.121986
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -189.990537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.990537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.990537 (E_RNA)
where:
Base-Base interactions energy: -129.792
where: short stacking energy: -60.250
Base-Backbone interact. energy: -0.000
local terms energy: -60.198151
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -15.018
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: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -184.202429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.202429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.202429 (E_RNA)
where:
Base-Base interactions energy: -125.118
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.002
local terms energy: -59.082534
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -187.809992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.809992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.809992 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -57.175
Base-Backbone interact. energy: 0.507
local terms energy: -61.490826
where:
bonds (distance) C4'-P energy: -8.230
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -169.898752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.898752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.898752 (E_RNA)
where:
Base-Base interactions energy: -121.214
where: short stacking energy: -46.119
Base-Backbone interact. energy: -0.012
local terms energy: -48.673199
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -10.688
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: 6
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -185.211561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.211561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.211561 (E_RNA)
where:
Base-Base interactions energy: -126.808
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.000
local terms energy: -58.402716
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -8.403
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -66.577424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.577424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.577424 (E_RNA)
where:
Base-Base interactions energy: -29.950
where: short stacking energy: -23.412
Base-Backbone interact. energy: -0.113
local terms energy: -36.515155
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -9.219
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: 1.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -81.578229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.578229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.578229 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -17.137
Base-Backbone interact. energy: -0.072
local terms energy: -39.345372
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -7.335
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -4.298
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: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -70.316714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.316714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.316714 (E_RNA)
where:
Base-Base interactions energy: -32.309
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.258
local terms energy: -37.749333
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -194.560041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.560041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.560041 (E_RNA)
where:
Base-Base interactions energy: -131.439
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.373
local terms energy: -62.747860
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -11.963
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -17.319
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: 5
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -189.493233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.493233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.493233 (E_RNA)
where:
Base-Base interactions energy: -128.684
where: short stacking energy: -56.270
Base-Backbone interact. energy: -0.329
local terms energy: -60.480120
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -13.568
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: 2
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -186.259909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259909 (E_RNA)
where:
Base-Base interactions energy: -126.216
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.000
local terms energy: -60.043696
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -186.196596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.196596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.196596 (E_RNA)
where:
Base-Base interactions energy: -129.429
where: short stacking energy: -60.280
Base-Backbone interact. energy: -0.010
local terms energy: -56.758279
where:
bonds (distance) C4'-P energy: -6.780
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -16.790
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: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -183.545936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.545936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.545936 (E_RNA)
where:
Base-Base interactions energy: -127.216
where: short stacking energy: -52.524
Base-Backbone interact. energy: -0.012
local terms energy: -56.317409
where:
bonds (distance) C4'-P energy: -9.646
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -190.742937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.742937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.742937 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.001
local terms energy: -59.612143
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -13.544
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: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -178.312984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312984 (E_RNA)
where:
Base-Base interactions energy: -129.383
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.002
local terms energy: -48.927724
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -5.783
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -76.361149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.361149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.361149 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -27.886
Base-Backbone interact. energy: -0.049
local terms energy: -46.331939
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -8.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -62.810105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.810105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.810105 (E_RNA)
where:
Base-Base interactions energy: -19.481
where: short stacking energy: -19.006
Base-Backbone interact. energy: -0.014
local terms energy: -43.314869
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: 1.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -90.663372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663372 (E_RNA)
where:
Base-Base interactions energy: -52.587
where: short stacking energy: -24.549
Base-Backbone interact. energy: -0.010
local terms energy: -38.066631
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -1.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -193.759678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.759678 (E_RNA)
where:
Base-Base interactions energy: -132.603
where: short stacking energy: -60.631
Base-Backbone interact. energy: -0.002
local terms energy: -61.154553
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -10.080
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -16.692
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: 2, replica: 5
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -186.237025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.237025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.237025 (E_RNA)
where:
Base-Base interactions energy: -128.398
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.051
local terms energy: -57.788255
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -12.797
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: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -186.409746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.409746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.409746 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.100
local terms energy: -64.295992
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -13.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -185.209801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.209801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.209801 (E_RNA)
where:
Base-Base interactions energy: -134.994
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.031
local terms energy: -50.184623
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -188.857357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.857357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.857357 (E_RNA)
where:
Base-Base interactions energy: -127.816
where: short stacking energy: -58.870
Base-Backbone interact. energy: -0.001
local terms energy: -61.040174
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -10.079
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -178.436012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.436012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.436012 (E_RNA)
where:
Base-Base interactions energy: -127.983
where: short stacking energy: -58.117
Base-Backbone interact. energy: -0.034
local terms energy: -50.419496
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -14.617
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: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -178.860727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.860727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.860727 (E_RNA)
where:
Base-Base interactions energy: -120.235
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.005
local terms energy: -58.620207
where:
bonds (distance) C4'-P energy: -6.975
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -18.563
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: 8
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -76.255143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255143 (E_RNA)
where:
Base-Base interactions energy: -29.172
where: short stacking energy: -29.520
Base-Backbone interact. energy: -0.287
local terms energy: -46.796541
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -6.730
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: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -79.600444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.600444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.600444 (E_RNA)
where:
Base-Base interactions energy: -42.565
where: short stacking energy: -21.893
Base-Backbone interact. energy: -0.323
local terms energy: -36.712048
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -7.169
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -1.055
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: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -68.645993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.645993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.645993 (E_RNA)
where:
Base-Base interactions energy: -24.233
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.448
local terms energy: -43.964393
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -3.412
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: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -194.686800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.686800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.686800 (E_RNA)
where:
Base-Base interactions energy: -131.001
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.005
local terms energy: -63.680448
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -185.846403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.846403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.846403 (E_RNA)
where:
Base-Base interactions energy: -125.082
where: short stacking energy: -50.596
Base-Backbone interact. energy: -0.039
local terms energy: -60.725383
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -12.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -181.943556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.943556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.943556 (E_RNA)
where:
Base-Base interactions energy: -121.970
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.052
local terms energy: -59.921456
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -188.760074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.760074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.760074 (E_RNA)
where:
Base-Base interactions energy: -131.248
where: short stacking energy: -64.206
Base-Backbone interact. energy: -0.001
local terms energy: -57.511206
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -4.159
tors. eta vs tors. theta energy: -17.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -184.082959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.082959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.082959 (E_RNA)
where:
Base-Base interactions energy: -124.243
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.001
local terms energy: -59.838753
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -14.140
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -183.536250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.536250 (E_RNA)
where:
Base-Base interactions energy: -129.438
where: short stacking energy: -59.185
Base-Backbone interact. energy: -0.002
local terms energy: -54.096543
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -8.987
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -180.288690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.288690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.288690 (E_RNA)
where:
Base-Base interactions energy: -122.306
where: short stacking energy: -54.107
Base-Backbone interact. energy: -0.065
local terms energy: -57.917139
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -14.623
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: 134
Temperature: 1.250000
Total energy: -78.002388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.002388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.002388 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.126
local terms energy: -41.044285
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -72.662264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.662264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.662264 (E_RNA)
where:
Base-Base interactions energy: -29.293
where: short stacking energy: -28.862
Base-Backbone interact. energy: 0.277
local terms energy: -43.645683
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -4.884
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -79.502893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.502893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.502893 (E_RNA)
where:
Base-Base interactions energy: -33.647
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.004
local terms energy: -45.852457
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -11.331
flat angles P-C4'-P energy: -3.514
tors. eta vs tors. theta energy: -6.694
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: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -193.157876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.157876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.157876 (E_RNA)
where:
Base-Base interactions energy: -135.295
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.000
local terms energy: -57.863156
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.513
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -13.155
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: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -184.355836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.355836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.355836 (E_RNA)
where:
Base-Base interactions energy: -128.612
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.031
local terms energy: -55.713012
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -8.055
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -16.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -185.478226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478226 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -58.751
Base-Backbone interact. energy: -0.014
local terms energy: -54.646080
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -6.248
tors. eta vs tors. theta energy: -13.598
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: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -186.472610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.472610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.472610 (E_RNA)
where:
Base-Base interactions energy: -128.064
where: short stacking energy: -60.144
Base-Backbone interact. energy: -0.231
local terms energy: -58.178093
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -180.090179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.090179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.090179 (E_RNA)
where:
Base-Base interactions energy: -124.075
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.167
local terms energy: -55.848652
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -183.250281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.250281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.250281 (E_RNA)
where:
Base-Base interactions energy: -126.689
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.000
local terms energy: -56.561065
where:
bonds (distance) C4'-P energy: -7.311
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -175.209253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.209253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.209253 (E_RNA)
where:
Base-Base interactions energy: -127.298
where: short stacking energy: -48.931
Base-Backbone interact. energy: 0.798
local terms energy: -48.709534
where:
bonds (distance) C4'-P energy: -5.469
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -8.395
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: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -75.203320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.203320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.203320 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -33.259
Base-Backbone interact. energy: -0.074
local terms energy: -39.873556
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -7.478
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -4.161
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: 135
Temperature: 1.300000
Total energy: -67.604053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.604053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.604053 (E_RNA)
where:
Base-Base interactions energy: -28.148
where: short stacking energy: -28.148
Base-Backbone interact. energy: 0.572
local terms energy: -40.027856
where:
bonds (distance) C4'-P energy: -7.713
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -6.438
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -84.053819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.053819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.053819 (E_RNA)
where:
Base-Base interactions energy: -46.295
where: short stacking energy: -20.402
Base-Backbone interact. energy: -0.014
local terms energy: -37.744684
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -2.805
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -195.011682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.011682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.011682 (E_RNA)
where:
Base-Base interactions energy: -132.998
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.000
local terms energy: -62.013859
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -10.141
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -187.311889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.311889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.311889 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -56.182
Base-Backbone interact. energy: -0.041
local terms energy: -58.711623
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -13.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -195.388313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.388313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.388313 (E_RNA)
where:
Base-Base interactions energy: -135.203
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.003
local terms energy: -60.182159
where:
bonds (distance) C4'-P energy: -10.768
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -14.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -189.775967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.775967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.775967 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -54.012
Base-Backbone interact. energy: 0.351
local terms energy: -59.296331
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -178.889083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.889083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.889083 (E_RNA)
where:
Base-Base interactions energy: -122.481
where: short stacking energy: -49.522
Base-Backbone interact. energy: -0.059
local terms energy: -56.349053
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -12.700
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: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -180.726978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.726978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.726978 (E_RNA)
where:
Base-Base interactions energy: -123.688
where: short stacking energy: -52.490
Base-Backbone interact. energy: -0.002
local terms energy: -57.036940
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -15.401
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: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -174.919710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.919710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.919710 (E_RNA)
where:
Base-Base interactions energy: -118.575
where: short stacking energy: -54.883
Base-Backbone interact. energy: -0.279
local terms energy: -56.065517
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -71.418864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.418864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.418864 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.005
local terms energy: -36.041475
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -5.834
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -69.306105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.306105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.306105 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -19.342
Base-Backbone interact. energy: -0.234
local terms energy: -33.011815
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -8.075
flat angles C4'-P-C4' energy: -9.272
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: 0.971
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: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -69.787962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.787962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.787962 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -20.217
Base-Backbone interact. energy: -0.376
local terms energy: -35.349705
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -4.762
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: 10
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -200.547714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.547714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.547714 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -63.288
Base-Backbone interact. energy: -0.002
local terms energy: -64.734202
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -196.893186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.893186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893186 (E_RNA)
where:
Base-Base interactions energy: -137.745
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.003
local terms energy: -59.146128
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -17.733
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: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -185.305375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.305375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.305375 (E_RNA)
where:
Base-Base interactions energy: -131.425
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.003
local terms energy: -53.877379
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -10.349
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: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -183.462813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.462813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.462813 (E_RNA)
where:
Base-Base interactions energy: -130.240
where: short stacking energy: -51.735
Base-Backbone interact. energy: -0.068
local terms energy: -53.154367
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -171.694035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.694035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.694035 (E_RNA)
where:
Base-Base interactions energy: -117.716
where: short stacking energy: -50.509
Base-Backbone interact. energy: -0.046
local terms energy: -53.931889
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -8.475
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -14.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -180.944234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.944234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.944234 (E_RNA)
where:
Base-Base interactions energy: -126.381
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.008
local terms energy: -54.555581
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -173.280655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.280655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.280655 (E_RNA)
where:
Base-Base interactions energy: -120.872
where: short stacking energy: -49.918
Base-Backbone interact. energy: -0.423
local terms energy: -51.985552
where:
bonds (distance) C4'-P energy: -5.324
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -10.210
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -131.756472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.756472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.756472 (E_RNA)
where:
Base-Base interactions energy: -92.557
where: short stacking energy: -37.726
Base-Backbone interact. energy: -0.057
local terms energy: -39.142632
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -8.687
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -4.577
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: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -72.225340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.225340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.225340 (E_RNA)
where:
Base-Base interactions energy: -32.154
where: short stacking energy: -32.154
Base-Backbone interact. energy: -0.079
local terms energy: -39.991534
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -6.202
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -62.082811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.082811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.082811 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.193
local terms energy: -33.291913
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -6.306
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -197.467003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.467003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.467003 (E_RNA)
where:
Base-Base interactions energy: -132.789
where: short stacking energy: -58.723
Base-Backbone interact. energy: 0.360
local terms energy: -65.037995
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -188.825777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.825777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.825777 (E_RNA)
where:
Base-Base interactions energy: -126.683
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.016
local terms energy: -62.126487
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -9.215
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -190.362876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.362876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.362876 (E_RNA)
where:
Base-Base interactions energy: -133.178
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.480
local terms energy: -56.704999
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -179.166651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.166651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.166651 (E_RNA)
where:
Base-Base interactions energy: -127.095
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.001
local terms energy: -52.070404
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -177.780819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.780819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.780819 (E_RNA)
where:
Base-Base interactions energy: -125.831
where: short stacking energy: -51.380
Base-Backbone interact. energy: -0.036
local terms energy: -51.913340
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -13.283
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: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -184.377029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.377029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.377029 (E_RNA)
where:
Base-Base interactions energy: -128.450
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.024
local terms energy: -55.903467
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -8.412
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -17.471
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: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -171.231193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.231193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.231193 (E_RNA)
where:
Base-Base interactions energy: -118.323
where: short stacking energy: -53.897
Base-Backbone interact. energy: -0.001
local terms energy: -52.907330
where:
bonds (distance) C4'-P energy: -8.673
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -13.559
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: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -102.869709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.869709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.869709 (E_RNA)
where:
Base-Base interactions energy: -59.493
where: short stacking energy: -29.474
Base-Backbone interact. energy: -0.059
local terms energy: -43.317662
where:
bonds (distance) C4'-P energy: -6.827
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -3.929
tors. eta vs tors. theta energy: -7.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -75.540775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.540775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.540775 (E_RNA)
where:
Base-Base interactions energy: -33.465
where: short stacking energy: -21.373
Base-Backbone interact. energy: -0.094
local terms energy: -41.981484
where:
bonds (distance) C4'-P energy: -10.250
bonds (distance) P-C4' energy: -7.639
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -3.670
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: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -62.728607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.728607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.728607 (E_RNA)
where:
Base-Base interactions energy: -17.688
where: short stacking energy: -17.688
Base-Backbone interact. energy: -0.291
local terms energy: -44.749739
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -10.401
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -194.353352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.353352 (E_RNA)
where:
Base-Base interactions energy: -132.899
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.102
local terms energy: -61.352289
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -189.845628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.845628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.845628 (E_RNA)
where:
Base-Base interactions energy: -128.474
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.079
local terms energy: -61.293154
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -182.509945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.509945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.509945 (E_RNA)
where:
Base-Base interactions energy: -124.197
where: short stacking energy: -57.349
Base-Backbone interact. energy: 0.120
local terms energy: -58.432598
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.523
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: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -180.397047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.397047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.397047 (E_RNA)
where:
Base-Base interactions energy: -123.647
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.051
local terms energy: -56.700009
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -14.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -182.448629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.448629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.448629 (E_RNA)
where:
Base-Base interactions energy: -123.927
where: short stacking energy: -61.623
Base-Backbone interact. energy: -0.281
local terms energy: -58.240526
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -15.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -183.632546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.632546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.632546 (E_RNA)
where:
Base-Base interactions energy: -130.534
where: short stacking energy: -52.214
Base-Backbone interact. energy: -0.209
local terms energy: -52.889225
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -3.843
tors. eta vs tors. theta energy: -12.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -178.942250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.942250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.942250 (E_RNA)
where:
Base-Base interactions energy: -116.470
where: short stacking energy: -49.136
Base-Backbone interact. energy: -0.007
local terms energy: -62.466030
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -98.922071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.922071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.922071 (E_RNA)
where:
Base-Base interactions energy: -62.131
where: short stacking energy: -25.335
Base-Backbone interact. energy: -0.371
local terms energy: -36.420131
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -6.162
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -136.386195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.386195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.386195 (E_RNA)
where:
Base-Base interactions energy: -94.203
where: short stacking energy: -41.863
Base-Backbone interact. energy: -0.108
local terms energy: -42.075501
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -8.874
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -5.732
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: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -60.946610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.946610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.946610 (E_RNA)
where:
Base-Base interactions energy: -21.875
where: short stacking energy: -15.234
Base-Backbone interact. energy: 0.207
local terms energy: -39.278389
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -5.623
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -192.788791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.788791 (E_RNA)
where:
Base-Base interactions energy: -129.930
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.821
local terms energy: -62.038079
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -188.252443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.252443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.252443 (E_RNA)
where:
Base-Base interactions energy: -128.497
where: short stacking energy: -62.194
Base-Backbone interact. energy: -0.015
local terms energy: -59.740153
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -180.679574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.679574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.679574 (E_RNA)
where:
Base-Base interactions energy: -127.389
where: short stacking energy: -50.624
Base-Backbone interact. energy: -0.752
local terms energy: -52.538388
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -12.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -181.020396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.020396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.020396 (E_RNA)
where:
Base-Base interactions energy: -119.427
where: short stacking energy: -54.802
Base-Backbone interact. energy: -0.079
local terms energy: -61.514686
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -182.074780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.074780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.074780 (E_RNA)
where:
Base-Base interactions energy: -124.987
where: short stacking energy: -49.410
Base-Backbone interact. energy: -0.335
local terms energy: -56.753031
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -181.484697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.484697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.484697 (E_RNA)
where:
Base-Base interactions energy: -122.363
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.003
local terms energy: -59.118218
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -13.192
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: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -171.989697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.989697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.989697 (E_RNA)
where:
Base-Base interactions energy: -119.866
where: short stacking energy: -54.286
Base-Backbone interact. energy: -0.175
local terms energy: -51.948257
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -7.852
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -16.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -96.971915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.971915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.971915 (E_RNA)
where:
Base-Base interactions energy: -45.748
where: short stacking energy: -45.748
Base-Backbone interact. energy: -0.000
local terms energy: -51.223566
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -4.705
tors. eta vs tors. theta energy: -10.085
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: 9, replica: 8
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -172.615597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.615597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.615597 (E_RNA)
where:
Base-Base interactions energy: -120.615
where: short stacking energy: -52.204
Base-Backbone interact. energy: -0.012
local terms energy: -51.988879
where:
bonds (distance) C4'-P energy: -4.980
bonds (distance) P-C4' energy: -9.284
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -10.321
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: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -93.577420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.577420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.577420 (E_RNA)
where:
Base-Base interactions energy: -50.769
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.306
local terms energy: -42.501835
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -193.506445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.506445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.506445 (E_RNA)
where:
Base-Base interactions energy: -133.440
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.001
local terms energy: -60.065727
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -195.067447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.067447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067447 (E_RNA)
where:
Base-Base interactions energy: -133.096
where: short stacking energy: -58.378
Base-Backbone interact. energy: 0.098
local terms energy: -62.069553
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -182.940606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.940606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.940606 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.585
local terms energy: -55.707756
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -8.897
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: 141
Temperature: 1.050000
Total energy: -179.616166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.616166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.616166 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.531
local terms energy: -48.886931
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -11.577
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -175.113721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.113721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.113721 (E_RNA)
where:
Base-Base interactions energy: -122.482
where: short stacking energy: -58.215
Base-Backbone interact. energy: -0.008
local terms energy: -52.623452
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -14.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -174.210748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.210748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.210748 (E_RNA)
where:
Base-Base interactions energy: -117.116
where: short stacking energy: -54.051
Base-Backbone interact. energy: -0.486
local terms energy: -56.608613
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -15.084
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: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -183.277763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.277763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.277763 (E_RNA)
where:
Base-Base interactions energy: -123.491
where: short stacking energy: -57.530
Base-Backbone interact. energy: -0.063
local terms energy: -59.722860
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -7.513
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -171.149860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.149860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.149860 (E_RNA)
where:
Base-Base interactions energy: -118.632
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.096
local terms energy: -52.422017
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -6.659
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -118.181047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.181047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.181047 (E_RNA)
where:
Base-Base interactions energy: -74.197
where: short stacking energy: -41.397
Base-Backbone interact. energy: -0.165
local terms energy: -43.819084
where:
bonds (distance) C4'-P energy: -7.165
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -9.764
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: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -61.871833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.871833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.871833 (E_RNA)
where:
Base-Base interactions energy: -25.828
where: short stacking energy: -20.426
Base-Backbone interact. energy: -0.169
local terms energy: -35.874075
where:
bonds (distance) C4'-P energy: -7.589
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -192.328736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.328736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.328736 (E_RNA)
where:
Base-Base interactions energy: -132.920
where: short stacking energy: -62.470
Base-Backbone interact. energy: -0.018
local terms energy: -59.391097
where:
bonds (distance) C4'-P energy: -8.810
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -15.917
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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -189.662639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.662639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.662639 (E_RNA)
where:
Base-Base interactions energy: -129.779
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.000
local terms energy: -59.883564
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -186.940035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.940035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.940035 (E_RNA)
where:
Base-Base interactions energy: -131.572
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.060
local terms energy: -55.307459
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -10.671
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -12.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -179.271439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.271439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.271439 (E_RNA)
where:
Base-Base interactions energy: -124.681
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.010
local terms energy: -54.579665
where:
bonds (distance) C4'-P energy: -8.482
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -182.639842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.639842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.639842 (E_RNA)
where:
Base-Base interactions energy: -125.223
where: short stacking energy: -54.186
Base-Backbone interact. energy: -0.756
local terms energy: -56.660776
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -184.426936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.426936 (E_RNA)
where:
Base-Base interactions energy: -124.333
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.001
local terms energy: -60.093266
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -15.899
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: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -172.648234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.648234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.648234 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -52.981
Base-Backbone interact. energy: -0.001
local terms energy: -54.517261
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -11.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -161.289712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.289712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.289712 (E_RNA)
where:
Base-Base interactions energy: -113.232
where: short stacking energy: -50.602
Base-Backbone interact. energy: -0.117
local terms energy: -47.941328
where:
bonds (distance) C4'-P energy: -8.300
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -6.264
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -109.800585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.800585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.800585 (E_RNA)
where:
Base-Base interactions energy: -74.997
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.001
local terms energy: -34.803162
where:
bonds (distance) C4'-P energy: -7.519
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -6.207
tors. eta vs tors. theta energy: -5.819
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: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -66.613033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.613033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.613033 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -15.061
Base-Backbone interact. energy: -0.389
local terms energy: -33.534434
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -7.349
flat angles P-C4'-P energy: -6.229
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -194.047006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.047006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.047006 (E_RNA)
where:
Base-Base interactions energy: -128.890
where: short stacking energy: -56.485
Base-Backbone interact. energy: -0.044
local terms energy: -65.113071
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -16.879
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: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -188.673088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.673088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.673088 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -62.046
Base-Backbone interact. energy: -0.016
local terms energy: -57.188443
where:
bonds (distance) C4'-P energy: -7.973
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -16.858
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: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -187.850126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.850126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.850126 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -51.738
Base-Backbone interact. energy: -0.224
local terms energy: -58.441130
where:
bonds (distance) C4'-P energy: -9.414
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -11.598
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: 7
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -186.742485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.742485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.742485 (E_RNA)
where:
Base-Base interactions energy: -130.789
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.018
local terms energy: -55.935343
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -6.320
tors. eta vs tors. theta energy: -12.635
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: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -180.636731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636731 (E_RNA)
where:
Base-Base interactions energy: -116.367
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.013
local terms energy: -64.256622
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -184.981956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.981956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.981956 (E_RNA)
where:
Base-Base interactions energy: -125.690
where: short stacking energy: -55.281
Base-Backbone interact. energy: -0.626
local terms energy: -58.665906
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -13.599
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: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -175.798287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.798287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.798287 (E_RNA)
where:
Base-Base interactions energy: -124.943
where: short stacking energy: -60.296
Base-Backbone interact. energy: -0.000
local terms energy: -50.855276
where:
bonds (distance) C4'-P energy: -6.951
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -13.158
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: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -173.895108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.895108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.895108 (E_RNA)
where:
Base-Base interactions energy: -126.720
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.089
local terms energy: -47.086236
where:
bonds (distance) C4'-P energy: -6.822
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -12.790
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: 143
Temperature: 1.300000
Total energy: -77.507923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.507923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.507923 (E_RNA)
where:
Base-Base interactions energy: -38.710
where: short stacking energy: -22.518
Base-Backbone interact. energy: -0.031
local terms energy: -38.766795
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -7.894
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -3.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -59.797583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.797583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.797583 (E_RNA)
where:
Base-Base interactions energy: -19.596
where: short stacking energy: -18.005
Base-Backbone interact. energy: -0.070
local terms energy: -40.132054
where:
bonds (distance) C4'-P energy: -10.245
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -1.572
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: 10
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -196.984177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.984177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.984177 (E_RNA)
where:
Base-Base interactions energy: -128.742
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.001
local terms energy: -68.241052
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -17.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -191.163704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.163704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.163704 (E_RNA)
where:
Base-Base interactions energy: -127.427
where: short stacking energy: -60.761
Base-Backbone interact. energy: -0.043
local terms energy: -63.693854
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -182.501874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.501874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.501874 (E_RNA)
where:
Base-Base interactions energy: -127.043
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.055
local terms energy: -55.404038
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -13.261
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: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -179.748883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.748883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.748883 (E_RNA)
where:
Base-Base interactions energy: -128.215
where: short stacking energy: -48.599
Base-Backbone interact. energy: -0.115
local terms energy: -51.419062
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -7.548
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: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -185.316955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316955 (E_RNA)
where:
Base-Base interactions energy: -126.757
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.003
local terms energy: -58.556509
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -179.911658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.911658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.911658 (E_RNA)
where:
Base-Base interactions energy: -121.833
where: short stacking energy: -58.240
Base-Backbone interact. energy: -0.490
local terms energy: -57.588660
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -14.678
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: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -176.027524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.027524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.027524 (E_RNA)
where:
Base-Base interactions energy: -126.013
where: short stacking energy: -56.849
Base-Backbone interact. energy: 0.040
local terms energy: -50.054377
where:
bonds (distance) C4'-P energy: -9.022
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -11.996
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: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -159.238493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.238493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.238493 (E_RNA)
where:
Base-Base interactions energy: -107.539
where: short stacking energy: -43.749
Base-Backbone interact. energy: 0.037
local terms energy: -51.736584
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -10.062
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -10.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -69.878045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.878045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.878045 (E_RNA)
where:
Base-Base interactions energy: -35.923
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.006
local terms energy: -33.949029
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -2.315
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: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -62.974096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.974096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.974096 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -20.801
Base-Backbone interact. energy: -0.066
local terms energy: -37.650533
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -7.854
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -1.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -196.708940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.708940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.708940 (E_RNA)
where:
Base-Base interactions energy: -131.287
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.002
local terms energy: -65.419459
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -18.228
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: 2, replica: 7
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -192.600129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.600129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.600129 (E_RNA)
where:
Base-Base interactions energy: -131.330
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.027
local terms energy: -61.243297
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -187.405329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.405329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.405329 (E_RNA)
where:
Base-Base interactions energy: -128.497
where: short stacking energy: -58.230
Base-Backbone interact. energy: -0.002
local terms energy: -58.905611
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -7.248
flat angles C4'-P-C4' energy: -12.388
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -180.920658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.920658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.920658 (E_RNA)
where:
Base-Base interactions energy: -122.975
where: short stacking energy: -56.360
Base-Backbone interact. energy: 0.304
local terms energy: -58.249261
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -172.825668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.825668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.825668 (E_RNA)
where:
Base-Base interactions energy: -114.591
where: short stacking energy: -43.944
Base-Backbone interact. energy: -0.033
local terms energy: -58.202208
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -10.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -176.771643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.771643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.771643 (E_RNA)
where:
Base-Base interactions energy: -120.505
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.004
local terms energy: -56.263027
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -14.276
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: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -178.118047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.118047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.118047 (E_RNA)
where:
Base-Base interactions energy: -123.767
where: short stacking energy: -59.921
Base-Backbone interact. energy: -0.012
local terms energy: -54.338709
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -6.702
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -175.481067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.481067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.481067 (E_RNA)
where:
Base-Base interactions energy: -122.352
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.042
local terms energy: -53.086779
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -15.275
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: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -149.427392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.427392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.427392 (E_RNA)
where:
Base-Base interactions energy: -95.870
where: short stacking energy: -46.446
Base-Backbone interact. energy: -0.073
local terms energy: -53.484527
where:
bonds (distance) C4'-P energy: -8.090
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -71.303209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.303209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.303209 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -15.776
Base-Backbone interact. energy: -0.713
local terms energy: -30.960563
where:
bonds (distance) C4'-P energy: -6.372
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -195.037937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.037937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.037937 (E_RNA)
where:
Base-Base interactions energy: -133.735
where: short stacking energy: -62.416
Base-Backbone interact. energy: -0.339
local terms energy: -60.963722
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -194.626519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.626519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.626519 (E_RNA)
where:
Base-Base interactions energy: -134.447
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.006
local terms energy: -60.173841
where:
bonds (distance) C4'-P energy: -7.331
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -189.991523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.991523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.991523 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -58.221
Base-Backbone interact. energy: -0.004
local terms energy: -54.752026
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -11.210
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: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -182.115295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.115295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.115295 (E_RNA)
where:
Base-Base interactions energy: -124.024
where: short stacking energy: -55.641
Base-Backbone interact. energy: 1.120
local terms energy: -59.211568
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -181.939232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939232 (E_RNA)
where:
Base-Base interactions energy: -127.632
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.002
local terms energy: -54.305869
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -9.269
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -178.553048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.553048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.553048 (E_RNA)
where:
Base-Base interactions energy: -121.580
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.417
local terms energy: -56.556336
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -4.735
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -179.469420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.469420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.469420 (E_RNA)
where:
Base-Base interactions energy: -122.252
where: short stacking energy: -55.948
Base-Backbone interact. energy: -0.043
local terms energy: -57.174723
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -182.001381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.001381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.001381 (E_RNA)
where:
Base-Base interactions energy: -128.399
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.066
local terms energy: -53.535520
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.765
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: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -143.346770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.346770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.346770 (E_RNA)
where:
Base-Base interactions energy: -98.288
where: short stacking energy: -43.194
Base-Backbone interact. energy: -0.104
local terms energy: -44.954750
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -7.290
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -6.010
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -68.908736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.908736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.908736 (E_RNA)
where:
Base-Base interactions energy: -27.790
where: short stacking energy: -25.118
Base-Backbone interact. energy: -0.314
local terms energy: -40.804741
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -1.775
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: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -191.320354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320354 (E_RNA)
where:
Base-Base interactions energy: -128.701
where: short stacking energy: -59.938
Base-Backbone interact. energy: -0.006
local terms energy: -62.613802
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -190.855070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.855070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.855070 (E_RNA)
where:
Base-Base interactions energy: -128.842
where: short stacking energy: -56.646
Base-Backbone interact. energy: -0.016
local terms energy: -61.997404
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -186.085553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.085553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.085553 (E_RNA)
where:
Base-Base interactions energy: -127.477
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.003
local terms energy: -58.605412
where:
bonds (distance) C4'-P energy: -10.404
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -17.259
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: 4, replica: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -182.692180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.692180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.692180 (E_RNA)
where:
Base-Base interactions energy: -125.862
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.071
local terms energy: -56.759692
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -175.603309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.603309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.603309 (E_RNA)
where:
Base-Base interactions energy: -119.776
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.015
local terms energy: -55.812256
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -12.670
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: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -176.787142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.787142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.787142 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.014
local terms energy: -53.567105
where:
bonds (distance) C4'-P energy: -5.929
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -172.605837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.605837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.605837 (E_RNA)
where:
Base-Base interactions energy: -117.361
where: short stacking energy: -47.540
Base-Backbone interact. energy: -0.005
local terms energy: -55.239952
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -178.459505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.459505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.459505 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.078
local terms energy: -59.120693
where:
bonds (distance) C4'-P energy: -11.628
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -12.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -147.910068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.910068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.910068 (E_RNA)
where:
Base-Base interactions energy: -99.889
where: short stacking energy: -40.923
Base-Backbone interact. energy: -0.431
local terms energy: -47.590430
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -6.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -79.297602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.297602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.297602 (E_RNA)
where:
Base-Base interactions energy: -44.471
where: short stacking energy: -25.108
Base-Backbone interact. energy: -0.149
local terms energy: -34.677505
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -7.316
flat angles P-C4'-P energy: -1.189
tors. eta vs tors. theta energy: -3.941
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: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -194.705966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.705966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.705966 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -63.330
Base-Backbone interact. energy: 0.049
local terms energy: -57.662799
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -14.169
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: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -190.229509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.229509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.229509 (E_RNA)
where:
Base-Base interactions energy: -131.897
where: short stacking energy: -61.079
Base-Backbone interact. energy: -0.418
local terms energy: -57.914674
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -15.466
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: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -188.378182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.378182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.378182 (E_RNA)
where:
Base-Base interactions energy: -128.881
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.002
local terms energy: -59.494474
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -13.340
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: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -186.264298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.264298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.264298 (E_RNA)
where:
Base-Base interactions energy: -124.310
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.009
local terms energy: -61.945156
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -11.662
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -15.290
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: 5, replica: 2
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -179.775526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.775526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.775526 (E_RNA)
where:
Base-Base interactions energy: -127.129
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.086
local terms energy: -52.560467
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -6.837
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -163.135894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.135894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.135894 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.095
local terms energy: -48.019912
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -7.284
flat angles P-C4'-P energy: -9.846
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: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -181.090240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.090240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.090240 (E_RNA)
where:
Base-Base interactions energy: -119.460
where: short stacking energy: -50.280
Base-Backbone interact. energy: -0.004
local terms energy: -61.626657
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -16.357
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: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -167.825547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.825547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.825547 (E_RNA)
where:
Base-Base interactions energy: -110.008
where: short stacking energy: -41.782
Base-Backbone interact. energy: -0.295
local terms energy: -57.522592
where:
bonds (distance) C4'-P energy: -10.786
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -9.085
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: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -70.192257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.192257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.192257 (E_RNA)
where:
Base-Base interactions energy: -28.486
where: short stacking energy: -23.942
Base-Backbone interact. energy: -0.082
local terms energy: -41.625005
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -2.752
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: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -146.726420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.726420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.726420 (E_RNA)
where:
Base-Base interactions energy: -106.906
where: short stacking energy: -46.794
Base-Backbone interact. energy: 0.314
local terms energy: -40.134495
where:
bonds (distance) C4'-P energy: -7.452
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -10.016
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -8.530
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: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -192.418839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.418839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.418839 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -59.962
Base-Backbone interact. energy: -0.001
local terms energy: -62.003890
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -13.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -192.297325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.297325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.297325 (E_RNA)
where:
Base-Base interactions energy: -129.981
where: short stacking energy: -60.079
Base-Backbone interact. energy: 0.030
local terms energy: -62.346526
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -190.298678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.298678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.298678 (E_RNA)
where:
Base-Base interactions energy: -126.790
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.000
local terms energy: -63.508187
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -17.693
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -190.911938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.911938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.911938 (E_RNA)
where:
Base-Base interactions energy: -130.815
where: short stacking energy: -58.732
Base-Backbone interact. energy: -0.053
local terms energy: -60.044443
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -14.926
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: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -186.117034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.117034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.117034 (E_RNA)
where:
Base-Base interactions energy: -126.563
where: short stacking energy: -61.817
Base-Backbone interact. energy: -0.008
local terms energy: -59.545502
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -14.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -187.133678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.133678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.133678 (E_RNA)
where:
Base-Base interactions energy: -128.240
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.001
local terms energy: -58.892713
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -16.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -164.544414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.544414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.544414 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -44.766
Base-Backbone interact. energy: -0.137
local terms energy: -51.514648
where:
bonds (distance) C4'-P energy: -9.345
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -8.895
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -178.526223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.526223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.526223 (E_RNA)
where:
Base-Base interactions energy: -116.801
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.021
local terms energy: -61.703940
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -14.883
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: 149
Temperature: 1.300000
Total energy: -68.923339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.923339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.923339 (E_RNA)
where:
Base-Base interactions energy: -25.744
where: short stacking energy: -25.744
Base-Backbone interact. energy: 0.095
local terms energy: -43.273926
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -3.161
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -126.942883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.942883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.942883 (E_RNA)
where:
Base-Base interactions energy: -86.934
where: short stacking energy: -27.437
Base-Backbone interact. energy: -0.205
local terms energy: -39.803736
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -7.664
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -191.074987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.074987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.074987 (E_RNA)
where:
Base-Base interactions energy: -127.614
where: short stacking energy: -61.762
Base-Backbone interact. energy: -0.019
local terms energy: -63.442000
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -11.723
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: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -189.894068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.894068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.894068 (E_RNA)
where:
Base-Base interactions energy: -127.687
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.003
local terms energy: -62.204586
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.196
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -191.402281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.402281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.402281 (E_RNA)
where:
Base-Base interactions energy: -134.907
where: short stacking energy: -59.575
Base-Backbone interact. energy: -0.001
local terms energy: -56.493546
where:
bonds (distance) C4'-P energy: -6.107
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -166.268363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.268363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.268363 (E_RNA)
where:
Base-Base interactions energy: -113.234
where: short stacking energy: -45.954
Base-Backbone interact. energy: -0.358
local terms energy: -52.676331
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -169.928858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.928858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.928858 (E_RNA)
where:
Base-Base interactions energy: -119.246
where: short stacking energy: -44.068
Base-Backbone interact. energy: -0.028
local terms energy: -50.654880
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -8.354
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: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -187.382282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.382282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.382282 (E_RNA)
where:
Base-Base interactions energy: -126.559
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.095
local terms energy: -60.728938
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -172.853241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.853241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.853241 (E_RNA)
where:
Base-Base interactions energy: -125.290
where: short stacking energy: -55.322
Base-Backbone interact. energy: -0.074
local terms energy: -47.489434
where:
bonds (distance) C4'-P energy: -6.789
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -170.310098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.310098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.310098 (E_RNA)
where:
Base-Base interactions energy: -118.295
where: short stacking energy: -57.721
Base-Backbone interact. energy: -0.015
local terms energy: -51.999957
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -12.797
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -75.618127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.618127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.618127 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -20.703
Base-Backbone interact. energy: -0.205
local terms energy: -42.526960
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -112.482530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.482530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.482530 (E_RNA)
where:
Base-Base interactions energy: -67.987
where: short stacking energy: -18.360
Base-Backbone interact. energy: -0.304
local terms energy: -44.191386
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -9.764
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -193.242491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.242491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.242491 (E_RNA)
where:
Base-Base interactions energy: -128.928
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.009
local terms energy: -64.305399
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -191.277262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.277262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.277262 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -60.713
Base-Backbone interact. energy: -0.019
local terms energy: -63.514749
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -11.522
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -16.702
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: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -189.413011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.413011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.413011 (E_RNA)
where:
Base-Base interactions energy: -130.345
where: short stacking energy: -58.793
Base-Backbone interact. energy: -0.002
local terms energy: -59.066700
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -180.779926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.779926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.779926 (E_RNA)
where:
Base-Base interactions energy: -126.943
where: short stacking energy: -51.126
Base-Backbone interact. energy: -0.161
local terms energy: -53.676412
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -187.233855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.233855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.233855 (E_RNA)
where:
Base-Base interactions energy: -124.621
where: short stacking energy: -53.459
Base-Backbone interact. energy: -0.055
local terms energy: -62.557609
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -180.236991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236991 (E_RNA)
where:
Base-Base interactions energy: -124.246
where: short stacking energy: -55.795
Base-Backbone interact. energy: -0.006
local terms energy: -55.985612
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -156.402053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.402053 (E_RNA)
where:
Base-Base interactions energy: -109.882
where: short stacking energy: -42.017
Base-Backbone interact. energy: -0.304
local terms energy: -46.216016
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -170.890983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.890983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.890983 (E_RNA)
where:
Base-Base interactions energy: -120.087
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.002
local terms energy: -50.802047
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -9.314
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -75.180939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.180939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.180939 (E_RNA)
where:
Base-Base interactions energy: -30.613
where: short stacking energy: -30.613
Base-Backbone interact. energy: -0.114
local terms energy: -44.454471
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -7.923
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -133.268764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.268764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.268764 (E_RNA)
where:
Base-Base interactions energy: -92.757
where: short stacking energy: -39.139
Base-Backbone interact. energy: -0.415
local terms energy: -40.097752
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -12.211
flat angles C4'-P-C4' energy: -9.928
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -194.589473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.589473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.589473 (E_RNA)
where:
Base-Base interactions energy: -131.680
where: short stacking energy: -61.026
Base-Backbone interact. energy: -0.090
local terms energy: -62.820175
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -14.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -184.996850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.996850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.996850 (E_RNA)
where:
Base-Base interactions energy: -128.682
where: short stacking energy: -54.122
Base-Backbone interact. energy: -0.002
local terms energy: -56.312733
where:
bonds (distance) C4'-P energy: -6.099
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -190.301737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.301737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.301737 (E_RNA)
where:
Base-Base interactions energy: -129.774
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.028
local terms energy: -60.499385
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -15.570
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: 152
Temperature: 1.050000
Total energy: -183.438102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.438102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.438102 (E_RNA)
where:
Base-Base interactions energy: -127.369
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.025
local terms energy: -56.043924
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -9.996
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -174.943449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.943449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.943449 (E_RNA)
where:
Base-Base interactions energy: -120.317
where: short stacking energy: -56.719
Base-Backbone interact. energy: -0.009
local terms energy: -54.617309
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -6.489
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -177.208527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.208527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.208527 (E_RNA)
where:
Base-Base interactions energy: -125.627
where: short stacking energy: -49.200
Base-Backbone interact. energy: -1.215
local terms energy: -50.366074
where:
bonds (distance) C4'-P energy: -5.481
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.925
tors. eta vs tors. theta energy: -14.158
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: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -170.531529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.531529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.531529 (E_RNA)
where:
Base-Base interactions energy: -117.823
where: short stacking energy: -49.640
Base-Backbone interact. energy: -0.000
local terms energy: -52.707847
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -11.564
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -171.855048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.855048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.855048 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.001
local terms energy: -50.985712
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -12.981
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: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -68.447738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.447738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.447738 (E_RNA)
where:
Base-Base interactions energy: -24.382
where: short stacking energy: -24.382
Base-Backbone interact. energy: -0.239
local terms energy: -43.827333
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -4.298
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: 152
Temperature: 1.350000
Total energy: -71.568018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.568018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.568018 (E_RNA)
where:
Base-Base interactions energy: -33.466
where: short stacking energy: -19.962
Base-Backbone interact. energy: -0.476
local terms energy: -37.625970
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -2.943
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: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -199.463582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.463582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.463582 (E_RNA)
where:
Base-Base interactions energy: -142.039
where: short stacking energy: -64.790
Base-Backbone interact. energy: -0.001
local terms energy: -57.423630
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -14.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -186.987738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.987738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.987738 (E_RNA)
where:
Base-Base interactions energy: -126.341
where: short stacking energy: -60.876
Base-Backbone interact. energy: -0.009
local terms energy: -60.637800
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -10.771
flat angles P-C4'-P energy: -9.253
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: 3, replica: 6
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -186.946449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.946449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.946449 (E_RNA)
where:
Base-Base interactions energy: -129.772
where: short stacking energy: -56.596
Base-Backbone interact. energy: -0.406
local terms energy: -56.767789
where:
bonds (distance) C4'-P energy: -9.890
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -179.455499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.455499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.455499 (E_RNA)
where:
Base-Base interactions energy: -127.758
where: short stacking energy: -59.480
Base-Backbone interact. energy: -0.413
local terms energy: -51.284964
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -9.871
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -15.491
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: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -177.588736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.588736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.588736 (E_RNA)
where:
Base-Base interactions energy: -122.836
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.809
local terms energy: -53.943814
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -9.226
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -183.537105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.537105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.537105 (E_RNA)
where:
Base-Base interactions energy: -140.739
where: short stacking energy: -56.904
Base-Backbone interact. energy: 0.332
local terms energy: -43.130410
where:
bonds (distance) C4'-P energy: -7.244
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -3.906
tors. eta vs tors. theta energy: -11.801
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: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -165.996687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.996687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.996687 (E_RNA)
where:
Base-Base interactions energy: -114.482
where: short stacking energy: -49.157
Base-Backbone interact. energy: -0.403
local terms energy: -51.111987
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -86.310388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.310388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.310388 (E_RNA)
where:
Base-Base interactions energy: -47.048
where: short stacking energy: -27.252
Base-Backbone interact. energy: -0.176
local terms energy: -39.086467
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -7.904
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: 9, replica: 10
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -173.217238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.217238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.217238 (E_RNA)
where:
Base-Base interactions energy: -122.947
where: short stacking energy: -51.896
Base-Backbone interact. energy: -0.002
local terms energy: -50.268229
where:
bonds (distance) C4'-P energy: -8.643
bonds (distance) P-C4' energy: -13.101
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -6.470
tors. eta vs tors. theta energy: -12.507
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: 4
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -78.750657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.750657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.750657 (E_RNA)
where:
Base-Base interactions energy: -36.680
where: short stacking energy: -38.180
Base-Backbone interact. energy: -0.002
local terms energy: -42.069002
where:
bonds (distance) C4'-P energy: -5.829
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -7.131
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -9.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -188.617777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.617777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.617777 (E_RNA)
where:
Base-Base interactions energy: -127.250
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.633
local terms energy: -60.734663
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -13.066
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: 154
Temperature: 0.950000
Total energy: -190.697609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697609 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -61.722
Base-Backbone interact. energy: -0.000
local terms energy: -58.361491
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -13.776
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: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -191.938993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.938993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.938993 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -53.129
Base-Backbone interact. energy: -0.178
local terms energy: -62.140745
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -185.010764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010764 (E_RNA)
where:
Base-Base interactions energy: -125.779
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.010
local terms energy: -59.221775
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -8.250
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: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -182.500591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.500591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500591 (E_RNA)
where:
Base-Base interactions energy: -126.950
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.000
local terms energy: -55.550083
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -9.586
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -184.140846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140846 (E_RNA)
where:
Base-Base interactions energy: -124.799
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.000
local terms energy: -59.341389
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -168.487902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.487902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.487902 (E_RNA)
where:
Base-Base interactions energy: -116.501
where: short stacking energy: -47.290
Base-Backbone interact. energy: -0.001
local terms energy: -51.985830
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -11.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -92.236850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236850 (E_RNA)
where:
Base-Base interactions energy: -53.050
where: short stacking energy: -22.934
Base-Backbone interact. energy: -0.269
local terms energy: -38.918005
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -7.937
flat angles C4'-P-C4' energy: -10.358
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -3.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -167.239002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.239002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.239002 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -48.496
Base-Backbone interact. energy: -0.189
local terms energy: -53.201542
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -10.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -68.444612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.444612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.444612 (E_RNA)
where:
Base-Base interactions energy: -35.584
where: short stacking energy: -17.756
Base-Backbone interact. energy: -0.409
local terms energy: -32.451684
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -7.973
flat angles P-C4'-P energy: -1.512
tors. eta vs tors. theta energy: -1.661
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: 155
Temperature: 0.900000
Total energy: -190.589911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.589911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.589911 (E_RNA)
where:
Base-Base interactions energy: -128.933
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.005
local terms energy: -61.651427
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -13.598
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: 155
Temperature: 0.950000
Total energy: -188.712757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.712757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.712757 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.059
local terms energy: -59.097590
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -8.464
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -15.457
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: 3, replica: 2
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -187.134799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.134799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.134799 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.000
local terms energy: -61.372774
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -12.782
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -179.780869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.780869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.780869 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.005
local terms energy: -50.251388
where:
bonds (distance) C4'-P energy: -11.347
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.643
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -13.075
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: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -185.821942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.821942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.821942 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.046
local terms energy: -57.963081
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -182.922715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.922715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.922715 (E_RNA)
where:
Base-Base interactions energy: -126.184
where: short stacking energy: -57.094
Base-Backbone interact. energy: -0.005
local terms energy: -56.733421
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -8.415
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -164.342301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.342301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.342301 (E_RNA)
where:
Base-Base interactions energy: -116.806
where: short stacking energy: -51.327
Base-Backbone interact. energy: -0.028
local terms energy: -47.508569
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -168.247956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.247956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.247956 (E_RNA)
where:
Base-Base interactions energy: -116.842
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.043
local terms energy: -51.363109
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -10.109
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: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -158.165395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.165395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.165395 (E_RNA)
where:
Base-Base interactions energy: -105.184
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.019
local terms energy: -52.962447
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -9.369
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: 155
Temperature: 1.350000
Total energy: -62.358282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.358282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.358282 (E_RNA)
where:
Base-Base interactions energy: -23.364
where: short stacking energy: -23.364
Base-Backbone interact. energy: 0.128
local terms energy: -39.122277
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: 2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -193.672601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.672601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.672601 (E_RNA)
where:
Base-Base interactions energy: -133.190
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.018
local terms energy: -60.464855
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -12.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -191.523843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.523843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523843 (E_RNA)
where:
Base-Base interactions energy: -127.622
where: short stacking energy: -60.189
Base-Backbone interact. energy: -0.057
local terms energy: -63.844562
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -189.930912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.930912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.930912 (E_RNA)
where:
Base-Base interactions energy: -124.336
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.020
local terms energy: -65.575438
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -182.399358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.399358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.399358 (E_RNA)
where:
Base-Base interactions energy: -121.319
where: short stacking energy: -54.503
Base-Backbone interact. energy: -0.041
local terms energy: -61.038875
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -175.419729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.419729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.419729 (E_RNA)
where:
Base-Base interactions energy: -123.560
where: short stacking energy: -48.622
Base-Backbone interact. energy: -0.002
local terms energy: -51.858249
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -7.850
flat angles P-C4'-P energy: -5.127
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -185.935080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935080 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.752
local terms energy: -59.838410
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.555
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: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -168.119299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.119299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.119299 (E_RNA)
where:
Base-Base interactions energy: -119.505
where: short stacking energy: -50.969
Base-Backbone interact. energy: -0.039
local terms energy: -48.575031
where:
bonds (distance) C4'-P energy: -9.264
bonds (distance) P-C4' energy: -4.437
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -14.379
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -161.543876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.543876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.543876 (E_RNA)
where:
Base-Base interactions energy: -114.748
where: short stacking energy: -46.995
Base-Backbone interact. energy: -0.006
local terms energy: -46.790556
where:
bonds (distance) C4'-P energy: -2.956
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -10.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -168.891135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.891135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.891135 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -50.459
Base-Backbone interact. energy: -0.076
local terms energy: -48.640062
where:
bonds (distance) C4'-P energy: -8.229
bonds (distance) P-C4' energy: -8.720
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -9.264
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: 156
Temperature: 1.350000
Total energy: -67.426677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.426677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.426677 (E_RNA)
where:
Base-Base interactions energy: -27.923
where: short stacking energy: -23.662
Base-Backbone interact. energy: -0.029
local terms energy: -39.475564
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -8.790
flat angles C4'-P-C4' energy: -6.992
flat angles P-C4'-P energy: -8.885
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: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -190.588570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588570 (E_RNA)
where:
Base-Base interactions energy: -126.711
where: short stacking energy: -57.543
Base-Backbone interact. energy: -0.000
local terms energy: -63.877334
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -190.917454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.917454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.917454 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -60.706
Base-Backbone interact. energy: -0.026
local terms energy: -60.905372
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -184.711415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.711415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.711415 (E_RNA)
where:
Base-Base interactions energy: -124.086
where: short stacking energy: -56.573
Base-Backbone interact. energy: -0.000
local terms energy: -60.625553
where:
bonds (distance) C4'-P energy: -11.348
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -190.350570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.350570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.350570 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -55.461
Base-Backbone interact. energy: -0.001
local terms energy: -63.281322
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -180.646867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646867 (E_RNA)
where:
Base-Base interactions energy: -125.815
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.001
local terms energy: -54.831038
where:
bonds (distance) C4'-P energy: -11.492
bonds (distance) P-C4' energy: -9.611
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -181.116501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.116501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.116501 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -60.840
Base-Backbone interact. energy: -0.047
local terms energy: -52.619941
where:
bonds (distance) C4'-P energy: -9.204
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -5.570
tors. eta vs tors. theta energy: -16.599
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: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -172.720606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.720606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.720606 (E_RNA)
where:
Base-Base interactions energy: -119.624
where: short stacking energy: -53.731
Base-Backbone interact. energy: -0.023
local terms energy: -53.073708
where:
bonds (distance) C4'-P energy: -7.473
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -15.820
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: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -166.538781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.538781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.538781 (E_RNA)
where:
Base-Base interactions energy: -119.045
where: short stacking energy: -57.402
Base-Backbone interact. energy: -0.000
local terms energy: -47.494114
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -9.332
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -162.370343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.370343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.370343 (E_RNA)
where:
Base-Base interactions energy: -113.096
where: short stacking energy: -47.611
Base-Backbone interact. energy: -0.115
local terms energy: -49.159331
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -7.974
flat angles C4'-P-C4' energy: -9.868
flat angles P-C4'-P energy: -7.568
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: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -74.356473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.356473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.356473 (E_RNA)
where:
Base-Base interactions energy: -28.567
where: short stacking energy: -26.740
Base-Backbone interact. energy: -0.081
local terms energy: -45.708327
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -6.381
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -190.639700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.639700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.639700 (E_RNA)
where:
Base-Base interactions energy: -134.243
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.000
local terms energy: -56.396199
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.249
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: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -195.226621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.226621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.226621 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.005
local terms energy: -64.542543
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -15.007
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: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -186.697525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.697525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.697525 (E_RNA)
where:
Base-Base interactions energy: -126.708
where: short stacking energy: -59.580
Base-Backbone interact. energy: -0.016
local terms energy: -59.973349
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -185.290586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.290586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.290586 (E_RNA)
where:
Base-Base interactions energy: -128.442
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.002
local terms energy: -56.846818
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -191.577437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.577437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.577437 (E_RNA)
where:
Base-Base interactions energy: -130.630
where: short stacking energy: -62.264
Base-Backbone interact. energy: 0.145
local terms energy: -61.092269
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -183.215644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.215644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.215644 (E_RNA)
where:
Base-Base interactions energy: -128.316
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.122
local terms energy: -54.777977
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -11.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -174.993268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.993268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.993268 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -49.923
Base-Backbone interact. energy: -0.186
local terms energy: -49.144791
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -7.043
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -177.459203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.459203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.459203 (E_RNA)
where:
Base-Base interactions energy: -126.181
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.022
local terms energy: -51.256005
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -8.535
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -14.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -170.073295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.073295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.073295 (E_RNA)
where:
Base-Base interactions energy: -123.689
where: short stacking energy: -49.238
Base-Backbone interact. energy: -0.108
local terms energy: -46.276552
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -8.760
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -7.041
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: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -65.133676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.133676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.133676 (E_RNA)
where:
Base-Base interactions energy: -39.943
where: short stacking energy: -25.238
Base-Backbone interact. energy: -0.093
local terms energy: -25.097648
where:
bonds (distance) C4'-P energy: -6.478
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -4.023
flat angles P-C4'-P energy: -2.945
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -188.828275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.828275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.828275 (E_RNA)
where:
Base-Base interactions energy: -129.167
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.003
local terms energy: -59.657733
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -13.610
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: 159
Temperature: 0.950000
Total energy: -192.218464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.218464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.218464 (E_RNA)
where:
Base-Base interactions energy: -135.342
where: short stacking energy: -60.246
Base-Backbone interact. energy: -0.007
local terms energy: -56.869325
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -13.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -186.660222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.660222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.660222 (E_RNA)
where:
Base-Base interactions energy: -124.717
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.060
local terms energy: -61.883728
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -14.308
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: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -186.961656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.961656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.961656 (E_RNA)
where:
Base-Base interactions energy: -126.565
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.000
local terms energy: -60.396358
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -180.149100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.149100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.149100 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.006
local terms energy: -49.163453
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -7.124
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -15.440
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: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -171.461110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.461110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.461110 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.002
local terms energy: -52.999768
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -4.029
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -172.846544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.846544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.846544 (E_RNA)
where:
Base-Base interactions energy: -115.940
where: short stacking energy: -52.078
Base-Backbone interact. energy: -0.016
local terms energy: -56.891264
where:
bonds (distance) C4'-P energy: -9.411
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -12.999
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: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -173.007238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.007238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.007238 (E_RNA)
where:
Base-Base interactions energy: -122.203
where: short stacking energy: -52.691
Base-Backbone interact. energy: -0.094
local terms energy: -50.709576
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -10.639
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -14.146
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: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -170.719567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.719567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.719567 (E_RNA)
where:
Base-Base interactions energy: -116.573
where: short stacking energy: -43.625
Base-Backbone interact. energy: -0.281
local terms energy: -53.865680
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -11.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -65.401348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.401348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.401348 (E_RNA)
where:
Base-Base interactions energy: -22.499
where: short stacking energy: -20.175
Base-Backbone interact. energy: -0.052
local terms energy: -42.850468
where:
bonds (distance) C4'-P energy: -8.284
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -199.202775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.202775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.202775 (E_RNA)
where:
Base-Base interactions energy: -137.011
where: short stacking energy: -62.879
Base-Backbone interact. energy: -0.015
local terms energy: -62.176749
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.114
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -190.600315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.600315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.600315 (E_RNA)
where:
Base-Base interactions energy: -129.645
where: short stacking energy: -58.930
Base-Backbone interact. energy: -0.001
local terms energy: -60.954140
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.239
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: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -180.546861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546861 (E_RNA)
where:
Base-Base interactions energy: -124.436
where: short stacking energy: -58.420
Base-Backbone interact. energy: 1.040
local terms energy: -57.150762
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -181.150690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.150690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.150690 (E_RNA)
where:
Base-Base interactions energy: -122.530
where: short stacking energy: -53.107
Base-Backbone interact. energy: -0.000
local terms energy: -58.620583
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -12.133
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: 5, replica: 1
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -185.519901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.519901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.519901 (E_RNA)
where:
Base-Base interactions energy: -127.073
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.086
local terms energy: -58.360006
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -178.785243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.785243 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.150
local terms energy: -58.310480
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -168.020063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.020063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.020063 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -49.176
Base-Backbone interact. energy: 1.070
local terms energy: -50.465179
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -8.552
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -12.869
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: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -168.856329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.856329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.856329 (E_RNA)
where:
Base-Base interactions energy: -114.625
where: short stacking energy: -49.164
Base-Backbone interact. energy: -0.001
local terms energy: -54.230761
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -171.870037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.870037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.870037 (E_RNA)
where:
Base-Base interactions energy: -117.150
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.633
local terms energy: -54.086963
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -5.406
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: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -63.322782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.322782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.322782 (E_RNA)
where:
Base-Base interactions energy: -27.755
where: short stacking energy: -26.507
Base-Backbone interact. energy: 0.077
local terms energy: -35.644781
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -7.724
flat angles C4'-P-C4' energy: -5.679
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -2.886
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -195.191301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.191301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.191301 (E_RNA)
where:
Base-Base interactions energy: -134.570
where: short stacking energy: -61.306
Base-Backbone interact. energy: -0.002
local terms energy: -60.619279
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -188.505484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.505484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.505484 (E_RNA)
where:
Base-Base interactions energy: -129.801
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.000
local terms energy: -58.703998
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -186.949738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.949738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.949738 (E_RNA)
where:
Base-Base interactions energy: -128.135
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.001
local terms energy: -58.813787
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -183.885182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.885182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.885182 (E_RNA)
where:
Base-Base interactions energy: -125.950
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.254
local terms energy: -57.681678
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -13.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -186.421689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.421689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.421689 (E_RNA)
where:
Base-Base interactions energy: -129.609
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.061
local terms energy: -56.752250
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -13.344
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: 7
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -173.281526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.281526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.281526 (E_RNA)
where:
Base-Base interactions energy: -124.732
where: short stacking energy: -53.747
Base-Backbone interact. energy: -1.232
local terms energy: -47.316863
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -6.478
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -11.608
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: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -178.326567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.326567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.326567 (E_RNA)
where:
Base-Base interactions energy: -125.885
where: short stacking energy: -54.437
Base-Backbone interact. energy: -1.064
local terms energy: -51.377750
where:
bonds (distance) C4'-P energy: -7.067
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -172.170717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.170717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.170717 (E_RNA)
where:
Base-Base interactions energy: -119.128
where: short stacking energy: -54.831
Base-Backbone interact. energy: -0.001
local terms energy: -53.041544
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -12.421
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: 9, replica: 9
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -168.912757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.912757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.912757 (E_RNA)
where:
Base-Base interactions energy: -114.889
where: short stacking energy: -54.901
Base-Backbone interact. energy: 1.140
local terms energy: -55.163314
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -7.451
tors. eta vs tors. theta energy: -15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -74.201942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.201942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.201942 (E_RNA)
where:
Base-Base interactions energy: -30.447
where: short stacking energy: -30.254
Base-Backbone interact. energy: -0.154
local terms energy: -43.600902
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -3.568
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: 162
Temperature: 0.900000
Total energy: -197.606058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.606058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.606058 (E_RNA)
where:
Base-Base interactions energy: -134.442
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.002
local terms energy: -63.162442
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -17.174
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -191.668380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.668380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.668380 (E_RNA)
where:
Base-Base interactions energy: -137.773
where: short stacking energy: -63.585
Base-Backbone interact. energy: -0.070
local terms energy: -53.825517
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -7.893
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -14.249
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: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -188.500425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.500425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.500425 (E_RNA)
where:
Base-Base interactions energy: -133.481
where: short stacking energy: -53.385
Base-Backbone interact. energy: 0.204
local terms energy: -55.223392
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -12.405
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: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -183.006550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.006550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.006550 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -58.314
Base-Backbone interact. energy: -0.072
local terms energy: -55.249264
where:
bonds (distance) C4'-P energy: -9.948
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.628
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -14.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -178.413487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.413487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413487 (E_RNA)
where:
Base-Base interactions energy: -123.770
where: short stacking energy: -54.464
Base-Backbone interact. energy: -0.002
local terms energy: -54.641892
where:
bonds (distance) C4'-P energy: -10.536
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -176.997673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.997673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.997673 (E_RNA)
where:
Base-Base interactions energy: -121.980
where: short stacking energy: -55.286
Base-Backbone interact. energy: -0.050
local terms energy: -54.967803
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -6.125
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -174.706664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.706664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.706664 (E_RNA)
where:
Base-Base interactions energy: -126.905
where: short stacking energy: -55.298
Base-Backbone interact. energy: -0.185
local terms energy: -47.616168
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -8.603
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -5.741
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: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -172.599404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.599404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.599404 (E_RNA)
where:
Base-Base interactions energy: -119.277
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.132
local terms energy: -53.190129
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -11.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -159.969261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.969261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.969261 (E_RNA)
where:
Base-Base interactions energy: -106.677
where: short stacking energy: -40.745
Base-Backbone interact. energy: -0.155
local terms energy: -53.137210
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -7.029
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: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -67.056826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.056826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.056826 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -18.605
Base-Backbone interact. energy: -0.136
local terms energy: -31.819098
where:
bonds (distance) C4'-P energy: -5.494
bonds (distance) P-C4' energy: -6.468
flat angles C4'-P-C4' energy: -6.771
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -198.066277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.066277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.066277 (E_RNA)
where:
Base-Base interactions energy: -135.082
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.002
local terms energy: -62.982273
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -18.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -190.817482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.817482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.817482 (E_RNA)
where:
Base-Base interactions energy: -131.433
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.157
local terms energy: -59.227504
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -13.744
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: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -184.610983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.610983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.610983 (E_RNA)
where:
Base-Base interactions energy: -125.609
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.319
local terms energy: -58.683108
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -180.791152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.791152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.791152 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -52.137
Base-Backbone interact. energy: -1.152
local terms energy: -51.688481
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -178.950510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.950510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.950510 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -61.191
Base-Backbone interact. energy: -0.010
local terms energy: -48.208792
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -178.988899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.988899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.988899 (E_RNA)
where:
Base-Base interactions energy: -123.179
where: short stacking energy: -55.331
Base-Backbone interact. energy: -0.006
local terms energy: -55.803735
where:
bonds (distance) C4'-P energy: -8.035
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -15.432
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: 7, replica: 8
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -176.024362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.024362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.024362 (E_RNA)
where:
Base-Base interactions energy: -124.085
where: short stacking energy: -57.863
Base-Backbone interact. energy: -0.000
local terms energy: -51.939458
where:
bonds (distance) C4'-P energy: -7.900
bonds (distance) P-C4' energy: -10.557
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -154.815979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.815979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.815979 (E_RNA)
where:
Base-Base interactions energy: -106.163
where: short stacking energy: -42.406
Base-Backbone interact. energy: -0.230
local terms energy: -48.423120
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -7.774
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -163.597960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.597960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.597960 (E_RNA)
where:
Base-Base interactions energy: -113.173
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.005
local terms energy: -50.420045
where:
bonds (distance) C4'-P energy: -8.860
bonds (distance) P-C4' energy: -8.876
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -6.447
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: 163
Temperature: 1.350000
Total energy: -57.775273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.775273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.775273 (E_RNA)
where:
Base-Base interactions energy: -22.954
where: short stacking energy: -22.954
Base-Backbone interact. energy: -0.282
local terms energy: -34.539439
where:
bonds (distance) C4'-P energy: -7.034
bonds (distance) P-C4' energy: -9.939
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -1.148
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: 1, replica: 6
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -188.471107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.471107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.471107 (E_RNA)
where:
Base-Base interactions energy: -127.420
where: short stacking energy: -57.868
Base-Backbone interact. energy: -0.006
local terms energy: -61.044879
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -189.486589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.486589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.486589 (E_RNA)
where:
Base-Base interactions energy: -135.046
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.049
local terms energy: -54.391124
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -186.029986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.029986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.029986 (E_RNA)
where:
Base-Base interactions energy: -134.027
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.155
local terms energy: -51.847658
where:
bonds (distance) C4'-P energy: -9.782
bonds (distance) P-C4' energy: -8.805
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -12.954
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: 164
Temperature: 1.050000
Total energy: -189.918888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.918888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.918888 (E_RNA)
where:
Base-Base interactions energy: -132.038
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.001
local terms energy: -57.879687
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -15.819
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: 7
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -185.299773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.299773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.299773 (E_RNA)
where:
Base-Base interactions energy: -126.361
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.000
local terms energy: -58.938758
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -172.597731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.597731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.597731 (E_RNA)
where:
Base-Base interactions energy: -118.836
where: short stacking energy: -51.922
Base-Backbone interact. energy: -0.016
local terms energy: -53.745662
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -5.896
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -177.777690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.777690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.777690 (E_RNA)
where:
Base-Base interactions energy: -127.397
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.025
local terms energy: -50.356503
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -12.921
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: 8, replica: 8
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -165.055442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.055442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.055442 (E_RNA)
where:
Base-Base interactions energy: -115.920
where: short stacking energy: -44.207
Base-Backbone interact. energy: -0.168
local terms energy: -48.967317
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -10.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -168.876777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876777 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -49.560
Base-Backbone interact. energy: 0.171
local terms energy: -43.907995
where:
bonds (distance) C4'-P energy: -5.456
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -10.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -68.657265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.657265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.657265 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -30.663
Base-Backbone interact. energy: 0.569
local terms energy: -38.563399
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -188.620315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.620315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.620315 (E_RNA)
where:
Base-Base interactions energy: -134.182
where: short stacking energy: -60.571
Base-Backbone interact. energy: -0.001
local terms energy: -54.437155
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -8.489
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -5.185
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: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -193.546115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.546115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.546115 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.004
local terms energy: -58.416807
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -190.058567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.058567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.058567 (E_RNA)
where:
Base-Base interactions energy: -133.526
where: short stacking energy: -56.261
Base-Backbone interact. energy: -0.851
local terms energy: -55.681696
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -181.803715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.803715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.803715 (E_RNA)
where:
Base-Base interactions energy: -123.368
where: short stacking energy: -55.339
Base-Backbone interact. energy: -0.631
local terms energy: -57.804805
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -183.827746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.827746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.827746 (E_RNA)
where:
Base-Base interactions energy: -124.107
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.008
local terms energy: -59.713490
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -175.187222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.187222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.187222 (E_RNA)
where:
Base-Base interactions energy: -117.424
where: short stacking energy: -58.500
Base-Backbone interact. energy: -0.006
local terms energy: -57.757164
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -6.888
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -171.752039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.752039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.752039 (E_RNA)
where:
Base-Base interactions energy: -114.545
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.257
local terms energy: -56.949863
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -173.869212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.869212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.869212 (E_RNA)
where:
Base-Base interactions energy: -121.375
where: short stacking energy: -53.836
Base-Backbone interact. energy: -0.122
local terms energy: -52.372339
where:
bonds (distance) C4'-P energy: -7.312
bonds (distance) P-C4' energy: -5.636
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -167.065026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.065026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.065026 (E_RNA)
where:
Base-Base interactions energy: -118.680
where: short stacking energy: -48.197
Base-Backbone interact. energy: -0.106
local terms energy: -48.278573
where:
bonds (distance) C4'-P energy: -7.484
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -72.886789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.886789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.886789 (E_RNA)
where:
Base-Base interactions energy: -30.093
where: short stacking energy: -29.902
Base-Backbone interact. energy: -0.033
local terms energy: -42.760569
where:
bonds (distance) C4'-P energy: -7.138
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -5.716
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -190.620435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.620435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.620435 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.001
local terms energy: -53.599459
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -9.616
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -12.919
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -196.219463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.219463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.219463 (E_RNA)
where:
Base-Base interactions energy: -132.088
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.038
local terms energy: -64.094048
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -15.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -187.212489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.212489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.212489 (E_RNA)
where:
Base-Base interactions energy: -125.678
where: short stacking energy: -56.224
Base-Backbone interact. energy: -0.072
local terms energy: -61.463265
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.929
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: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -181.542279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.542279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.542279 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -43.910
Base-Backbone interact. energy: -0.051
local terms energy: -58.069724
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -178.687422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.687422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.687422 (E_RNA)
where:
Base-Base interactions energy: -120.105
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.091
local terms energy: -58.491084
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -178.026442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.026442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.026442 (E_RNA)
where:
Base-Base interactions energy: -124.646
where: short stacking energy: -53.440
Base-Backbone interact. energy: 0.262
local terms energy: -53.642298
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -6.280
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -14.916
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: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -170.019043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.019043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.019043 (E_RNA)
where:
Base-Base interactions energy: -118.942
where: short stacking energy: -52.893
Base-Backbone interact. energy: -0.001
local terms energy: -51.076458
where:
bonds (distance) C4'-P energy: -7.349
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -11.313
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -178.334654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.334654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.334654 (E_RNA)
where:
Base-Base interactions energy: -122.468
where: short stacking energy: -48.652
Base-Backbone interact. energy: -0.511
local terms energy: -55.355936
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -11.833
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: 166
Temperature: 1.300000
Total energy: -168.977849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.977849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.977849 (E_RNA)
where:
Base-Base interactions energy: -118.864
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.427
local terms energy: -49.686205
where:
bonds (distance) C4'-P energy: -3.780
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -8.662
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -68.411646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.411646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.411646 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -18.712
Base-Backbone interact. energy: 0.238
local terms energy: -37.995352
where:
bonds (distance) C4'-P energy: -7.679
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -3.547
tors. eta vs tors. theta energy: -2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -191.482285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.482285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.482285 (E_RNA)
where:
Base-Base interactions energy: -128.185
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.806
local terms energy: -62.491783
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -194.190953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.190953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.190953 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -60.266
Base-Backbone interact. energy: -0.008
local terms energy: -60.607036
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -16.650
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: 2
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -190.860420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.860420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.860420 (E_RNA)
where:
Base-Base interactions energy: -130.426
where: short stacking energy: -61.832
Base-Backbone interact. energy: -0.019
local terms energy: -60.415395
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -189.295463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.295463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.295463 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -57.727
Base-Backbone interact. energy: -0.004
local terms energy: -60.445788
where:
bonds (distance) C4'-P energy: -9.285
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -182.580215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.580215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.580215 (E_RNA)
where:
Base-Base interactions energy: -133.161
where: short stacking energy: -55.094
Base-Backbone interact. energy: -0.066
local terms energy: -49.353198
where:
bonds (distance) C4'-P energy: -4.413
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -11.990
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: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -182.711372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.711372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.711372 (E_RNA)
where:
Base-Base interactions energy: -125.157
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.003
local terms energy: -57.551125
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -13.732
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: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -171.364206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.364206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.364206 (E_RNA)
where:
Base-Base interactions energy: -116.104
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.008
local terms energy: -55.252136
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -162.824135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.824135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.824135 (E_RNA)
where:
Base-Base interactions energy: -112.878
where: short stacking energy: -45.048
Base-Backbone interact. energy: -0.086
local terms energy: -49.860031
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -155.173709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.173709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.173709 (E_RNA)
where:
Base-Base interactions energy: -117.571
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.012
local terms energy: -37.591213
where:
bonds (distance) C4'-P energy: -4.762
bonds (distance) P-C4' energy: -9.372
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -76.483788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.483788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.483788 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.017
local terms energy: -45.228131
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -8.520
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -6.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -195.715473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.715473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.715473 (E_RNA)
where:
Base-Base interactions energy: -129.001
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.015
local terms energy: -66.699504
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -183.042616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.042616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.042616 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -60.359
Base-Backbone interact. energy: -0.008
local terms energy: -53.744009
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -9.671
flat angles P-C4'-P energy: -8.240
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: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -186.846981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.846981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.846981 (E_RNA)
where:
Base-Base interactions energy: -126.874
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.009
local terms energy: -59.964316
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -180.516626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.516626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.516626 (E_RNA)
where:
Base-Base interactions energy: -126.712
where: short stacking energy: -59.154
Base-Backbone interact. energy: 0.362
local terms energy: -54.166913
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -8.196
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -14.559
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: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -180.624936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.624936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.624936 (E_RNA)
where:
Base-Base interactions energy: -124.493
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.000
local terms energy: -56.131820
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -173.800167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.800167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.800167 (E_RNA)
where:
Base-Base interactions energy: -122.173
where: short stacking energy: -51.168
Base-Backbone interact. energy: -0.197
local terms energy: -51.430524
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -168.752124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.752124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.752124 (E_RNA)
where:
Base-Base interactions energy: -113.272
where: short stacking energy: -42.885
Base-Backbone interact. energy: -0.013
local terms energy: -55.466970
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -11.027
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: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -153.021874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.021874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.021874 (E_RNA)
where:
Base-Base interactions energy: -108.954
where: short stacking energy: -46.016
Base-Backbone interact. energy: -0.042
local terms energy: -44.026416
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -1.996
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -165.344746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.344746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.344746 (E_RNA)
where:
Base-Base interactions energy: -115.597
where: short stacking energy: -47.626
Base-Backbone interact. energy: -0.039
local terms energy: -49.709402
where:
bonds (distance) C4'-P energy: -7.887
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -11.500
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: 168
Temperature: 1.350000
Total energy: -76.979787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.979787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.979787 (E_RNA)
where:
Base-Base interactions energy: -38.389
where: short stacking energy: -24.084
Base-Backbone interact. energy: -0.148
local terms energy: -38.443040
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -10.612
flat angles C4'-P-C4' energy: -10.401
flat angles P-C4'-P energy: -3.805
tors. eta vs tors. theta energy: -3.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -185.828178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.828178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.828178 (E_RNA)
where:
Base-Base interactions energy: -128.526
where: short stacking energy: -56.448
Base-Backbone interact. energy: -0.056
local terms energy: -57.246129
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -9.122
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -186.522845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.522845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.522845 (E_RNA)
where:
Base-Base interactions energy: -128.786
where: short stacking energy: -58.092
Base-Backbone interact. energy: -0.018
local terms energy: -57.718636
where:
bonds (distance) C4'-P energy: -5.544
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -16.690
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: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -194.214116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.214116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.214116 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.012
local terms energy: -63.810542
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -18.349
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: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -183.441071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441071 (E_RNA)
where:
Base-Base interactions energy: -129.797
where: short stacking energy: -53.480
Base-Backbone interact. energy: -0.004
local terms energy: -53.640410
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -8.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -177.283839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.283839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.283839 (E_RNA)
where:
Base-Base interactions energy: -125.392
where: short stacking energy: -58.534
Base-Backbone interact. energy: -0.001
local terms energy: -51.890858
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -8.323
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -170.119160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.119160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.119160 (E_RNA)
where:
Base-Base interactions energy: -114.881
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.381
local terms energy: -54.856539
where:
bonds (distance) C4'-P energy: -11.596
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.322
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -12.801
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: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -178.322451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.322451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.322451 (E_RNA)
where:
Base-Base interactions energy: -124.729
where: short stacking energy: -55.593
Base-Backbone interact. energy: 0.306
local terms energy: -53.898857
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -172.784294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.784294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.784294 (E_RNA)
where:
Base-Base interactions energy: -117.719
where: short stacking energy: -54.700
Base-Backbone interact. energy: -0.013
local terms energy: -55.051690
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.803
tors. eta vs tors. theta energy: -12.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -163.933583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.933583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.933583 (E_RNA)
where:
Base-Base interactions energy: -112.262
where: short stacking energy: -46.472
Base-Backbone interact. energy: -0.660
local terms energy: -51.011746
where:
bonds (distance) C4'-P energy: -7.703
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -66.589245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.589245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.589245 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.031
local terms energy: -31.331557
where:
bonds (distance) C4'-P energy: -5.046
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -5.354
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -1.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -195.367690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.367690 (E_RNA)
where:
Base-Base interactions energy: -129.193
where: short stacking energy: -59.009
Base-Backbone interact. energy: 0.121
local terms energy: -66.295558
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -195.890413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.890413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.890413 (E_RNA)
where:
Base-Base interactions energy: -134.419
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.102
local terms energy: -61.369489
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -186.532305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.532305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.532305 (E_RNA)
where:
Base-Base interactions energy: -129.428
where: short stacking energy: -59.651
Base-Backbone interact. energy: -0.018
local terms energy: -57.086785
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -13.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -189.996427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.996427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.996427 (E_RNA)
where:
Base-Base interactions energy: -129.010
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.001
local terms energy: -60.985267
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -16.803
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: 5, replica: 8
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -178.972720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.972720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.972720 (E_RNA)
where:
Base-Base interactions energy: -119.609
where: short stacking energy: -56.187
Base-Backbone interact. energy: -0.000
local terms energy: -59.363172
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -12.010
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -166.557591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.557591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.557591 (E_RNA)
where:
Base-Base interactions energy: -121.186
where: short stacking energy: -52.565
Base-Backbone interact. energy: -0.032
local terms energy: -45.339729
where:
bonds (distance) C4'-P energy: -7.005
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -9.035
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -178.764263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.764263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.764263 (E_RNA)
where:
Base-Base interactions energy: -119.558
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.000
local terms energy: -59.206258
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -14.128
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: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -161.496157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.496157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.496157 (E_RNA)
where:
Base-Base interactions energy: -106.399
where: short stacking energy: -39.677
Base-Backbone interact. energy: -0.251
local terms energy: -54.846080
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -6.769
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -172.937888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.937888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.937888 (E_RNA)
where:
Base-Base interactions energy: -116.433
where: short stacking energy: -45.774
Base-Backbone interact. energy: -0.309
local terms energy: -56.196261
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -10.927
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: 170
Temperature: 1.350000
Total energy: -77.599788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599788 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -37.539
Base-Backbone interact. energy: -0.002
local terms energy: -40.059271
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -6.483
flat angles C4'-P-C4' energy: -7.224
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -8.638
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: 171
Temperature: 0.900000
Total energy: -188.894804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.894804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.894804 (E_RNA)
where:
Base-Base interactions energy: -127.655
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.001
local terms energy: -61.238924
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -8.433
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: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -192.876135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876135 (E_RNA)
where:
Base-Base interactions energy: -131.441
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.000
local terms energy: -61.435113
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -15.820
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: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -185.619891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.619891 (E_RNA)
where:
Base-Base interactions energy: -134.590
where: short stacking energy: -59.356
Base-Backbone interact. energy: 0.933
local terms energy: -51.963203
where:
bonds (distance) C4'-P energy: -7.701
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -182.973798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.973798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.973798 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -57.905
Base-Backbone interact. energy: -0.188
local terms energy: -55.595083
where:
bonds (distance) C4'-P energy: -7.813
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -181.194497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.194497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.194497 (E_RNA)
where:
Base-Base interactions energy: -125.255
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.000
local terms energy: -55.939199
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -14.781
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -181.626288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.626288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.626288 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -57.825
Base-Backbone interact. energy: -0.001
local terms energy: -55.946425
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -8.683
flat angles C4'-P-C4' energy: -12.387
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -170.775993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.775993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.775993 (E_RNA)
where:
Base-Base interactions energy: -121.849
where: short stacking energy: -48.520
Base-Backbone interact. energy: -0.067
local terms energy: -48.859857
where:
bonds (distance) C4'-P energy: -6.956
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -12.348
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: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -164.944050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.944050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.944050 (E_RNA)
where:
Base-Base interactions energy: -113.118
where: short stacking energy: -43.379
Base-Backbone interact. energy: 0.273
local terms energy: -52.099121
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -7.550
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: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -162.991514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.991514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.991514 (E_RNA)
where:
Base-Base interactions energy: -109.892
where: short stacking energy: -41.306
Base-Backbone interact. energy: -0.100
local terms energy: -52.999793
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -9.885
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -10.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -76.587908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.587908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.587908 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.027
local terms energy: -49.328559
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -11.543
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -8.666
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: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -194.293730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293730 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.003
local terms energy: -58.891297
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.078
tors. eta vs tors. theta energy: -14.839
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: 172
Temperature: 0.950000
Total energy: -194.492377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.492377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492377 (E_RNA)
where:
Base-Base interactions energy: -133.811
where: short stacking energy: -62.234
Base-Backbone interact. energy: -0.289
local terms energy: -60.391877
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -16.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -181.161223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.161223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.161223 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -53.818
Base-Backbone interact. energy: -0.586
local terms energy: -53.692128
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -11.692
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: 9
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -184.826230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.826230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.826230 (E_RNA)
where:
Base-Base interactions energy: -130.898
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.001
local terms energy: -53.927018
where:
bonds (distance) C4'-P energy: -7.423
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -11.672
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -186.499583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.499583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.499583 (E_RNA)
where:
Base-Base interactions energy: -125.870
where: short stacking energy: -57.292
Base-Backbone interact. energy: -0.001
local terms energy: -60.627800
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -16.835
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: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -184.045767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.045767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045767 (E_RNA)
where:
Base-Base interactions energy: -125.553
where: short stacking energy: -60.077
Base-Backbone interact. energy: -0.014
local terms energy: -58.478249
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -4.371
tors. eta vs tors. theta energy: -17.016
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: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -177.706101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.706101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.706101 (E_RNA)
where:
Base-Base interactions energy: -116.924
where: short stacking energy: -50.916
Base-Backbone interact. energy: -0.000
local terms energy: -60.782003
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -177.898167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.898167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.898167 (E_RNA)
where:
Base-Base interactions energy: -121.647
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.151
local terms energy: -56.099276
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -12.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -168.251804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.251804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.251804 (E_RNA)
where:
Base-Base interactions energy: -119.449
where: short stacking energy: -51.320
Base-Backbone interact. energy: -0.697
local terms energy: -48.105820
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -9.319
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -10.506
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: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -61.851691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.851691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.851691 (E_RNA)
where:
Base-Base interactions energy: -25.394
where: short stacking energy: -24.189
Base-Backbone interact. energy: -0.021
local terms energy: -36.437213
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -191.697244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697244 (E_RNA)
where:
Base-Base interactions energy: -129.587
where: short stacking energy: -59.235
Base-Backbone interact. energy: -0.146
local terms energy: -61.964157
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -192.607001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.607001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.607001 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -59.849
Base-Backbone interact. energy: -0.295
local terms energy: -62.811477
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -15.968
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: 3, replica: 6
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -187.353729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.353729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.353729 (E_RNA)
where:
Base-Base interactions energy: -126.421
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.005
local terms energy: -60.927557
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -189.283129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.283129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.283129 (E_RNA)
where:
Base-Base interactions energy: -127.853
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.003
local terms energy: -61.427106
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -182.417670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.417670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.417670 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -53.306
Base-Backbone interact. energy: -0.000
local terms energy: -56.797785
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -177.947328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.947328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.947328 (E_RNA)
where:
Base-Base interactions energy: -126.118
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.001
local terms energy: -51.829008
where:
bonds (distance) C4'-P energy: -6.153
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -13.204
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: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -173.004739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.004739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.004739 (E_RNA)
where:
Base-Base interactions energy: -119.205
where: short stacking energy: -51.785
Base-Backbone interact. energy: -0.013
local terms energy: -53.786405
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -174.571774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.571774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.571774 (E_RNA)
where:
Base-Base interactions energy: -118.636
where: short stacking energy: -55.369
Base-Backbone interact. energy: 2.260
local terms energy: -58.195833
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -172.054657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.054657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.054657 (E_RNA)
where:
Base-Base interactions energy: -120.877
where: short stacking energy: -46.468
Base-Backbone interact. energy: -0.180
local terms energy: -50.997741
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -10.343
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: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -71.770344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.770344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.770344 (E_RNA)
where:
Base-Base interactions energy: -26.613
where: short stacking energy: -26.613
Base-Backbone interact. energy: -0.113
local terms energy: -45.044656
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -10.767
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -1.804
tors. eta vs tors. theta energy: -7.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -193.537686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.537686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.537686 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -59.201
Base-Backbone interact. energy: -0.004
local terms energy: -63.592062
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.526
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: 174
Temperature: 0.950000
Total energy: -188.502267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.502267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.502267 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -58.592
Base-Backbone interact. energy: -0.006
local terms energy: -60.577675
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -13.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -190.386466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386466 (E_RNA)
where:
Base-Base interactions energy: -127.744
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.002
local terms energy: -62.640239
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -184.483243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.483243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.483243 (E_RNA)
where:
Base-Base interactions energy: -126.254
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.060
local terms energy: -58.169064
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -183.574434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.574434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.574434 (E_RNA)
where:
Base-Base interactions energy: -126.857
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.017
local terms energy: -56.699868
where:
bonds (distance) C4'-P energy: -8.682
bonds (distance) P-C4' energy: -12.013
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -15.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -176.674786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.674786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.674786 (E_RNA)
where:
Base-Base interactions energy: -124.097
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.018
local terms energy: -52.559632
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -11.066
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -175.988027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.988027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.988027 (E_RNA)
where:
Base-Base interactions energy: -121.623
where: short stacking energy: -55.474
Base-Backbone interact. energy: -0.005
local terms energy: -54.359189
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -12.359
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -173.980619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.980619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.980619 (E_RNA)
where:
Base-Base interactions energy: -117.887
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.122
local terms energy: -55.971132
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -15.300
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: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -166.055743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.055743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.055743 (E_RNA)
where:
Base-Base interactions energy: -118.228
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.141
local terms energy: -47.686293
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -5.369
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -69.304224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.304224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.304224 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -29.464
Base-Backbone interact. energy: -0.005
local terms energy: -39.518415
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -1.061
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: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -192.181848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.181848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.181848 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -59.539
Base-Backbone interact. energy: -0.045
local terms energy: -61.834170
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -15.987
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: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -192.184120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.184120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.184120 (E_RNA)
where:
Base-Base interactions energy: -131.333
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.155
local terms energy: -60.696683
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.407
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -184.534270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.534270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.534270 (E_RNA)
where:
Base-Base interactions energy: -127.742
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.049
local terms energy: -56.743044
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -7.493
tors. eta vs tors. theta energy: -13.151
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: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -188.178240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.178240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.178240 (E_RNA)
where:
Base-Base interactions energy: -128.742
where: short stacking energy: -57.850
Base-Backbone interact. energy: -0.048
local terms energy: -59.387376
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -15.826
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: 5, replica: 6
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -177.512540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.512540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.512540 (E_RNA)
where:
Base-Base interactions energy: -123.555
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.036
local terms energy: -53.921877
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -9.565
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -179.024575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.024575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.024575 (E_RNA)
where:
Base-Base interactions energy: -122.444
where: short stacking energy: -53.226
Base-Backbone interact. energy: -0.025
local terms energy: -56.555655
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -13.635
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -175.734960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.734960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.734960 (E_RNA)
where:
Base-Base interactions energy: -117.228
where: short stacking energy: -50.494
Base-Backbone interact. energy: -0.035
local terms energy: -58.471628
where:
bonds (distance) C4'-P energy: -9.999
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -172.853555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.853555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.853555 (E_RNA)
where:
Base-Base interactions energy: -123.251
where: short stacking energy: -47.181
Base-Backbone interact. energy: -0.689
local terms energy: -48.913506
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -10.147
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -150.679033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.679033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.679033 (E_RNA)
where:
Base-Base interactions energy: -103.303
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.033
local terms energy: -47.343004
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -64.534561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.534561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.534561 (E_RNA)
where:
Base-Base interactions energy: -25.634
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.057
local terms energy: -38.843986
where:
bonds (distance) C4'-P energy: -7.635
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -4.410
tors. eta vs tors. theta energy: -3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -194.522434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.522434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.522434 (E_RNA)
where:
Base-Base interactions energy: -129.087
where: short stacking energy: -59.744
Base-Backbone interact. energy: -0.339
local terms energy: -65.096927
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -184.583849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.583849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.583849 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -58.331
Base-Backbone interact. energy: -0.004
local terms energy: -59.513646
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -12.794
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -187.630164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.630164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.630164 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.011
local terms energy: -57.816785
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -182.121670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.121670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.121670 (E_RNA)
where:
Base-Base interactions energy: -128.301
where: short stacking energy: -56.295
Base-Backbone interact. energy: 0.896
local terms energy: -54.716418
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -12.716
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: 5, replica: 1
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -184.192471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.192471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.192471 (E_RNA)
where:
Base-Base interactions energy: -129.986
where: short stacking energy: -59.500
Base-Backbone interact. energy: -0.002
local terms energy: -54.204212
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -11.770
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -13.866
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: 6, replica: 6
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -181.316470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316470 (E_RNA)
where:
Base-Base interactions energy: -123.063
where: short stacking energy: -53.612
Base-Backbone interact. energy: -0.041
local terms energy: -58.211946
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -181.238362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.238362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.238362 (E_RNA)
where:
Base-Base interactions energy: -130.877
where: short stacking energy: -55.554
Base-Backbone interact. energy: -0.043
local terms energy: -50.317798
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -11.160
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: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -171.416181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.416181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.416181 (E_RNA)
where:
Base-Base interactions energy: -124.522
where: short stacking energy: -49.966
Base-Backbone interact. energy: -0.367
local terms energy: -46.526212
where:
bonds (distance) C4'-P energy: -7.767
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -158.232106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.232106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.232106 (E_RNA)
where:
Base-Base interactions energy: -109.915
where: short stacking energy: -48.108
Base-Backbone interact. energy: -0.004
local terms energy: -48.313520
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -9.110
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -11.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -61.954469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.954469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.954469 (E_RNA)
where:
Base-Base interactions energy: -19.663
where: short stacking energy: -16.182
Base-Backbone interact. energy: -0.253
local terms energy: -42.038256
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -5.818
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -4.445
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: 1, replica: 10
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -195.524591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.524591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.524591 (E_RNA)
where:
Base-Base interactions energy: -130.391
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.031
local terms energy: -65.102175
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -15.547
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: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -188.387698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.387698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.387698 (E_RNA)
where:
Base-Base interactions energy: -125.980
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.015
local terms energy: -62.392641
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -184.822072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.822072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.822072 (E_RNA)
where:
Base-Base interactions energy: -122.180
where: short stacking energy: -59.436
Base-Backbone interact. energy: -0.438
local terms energy: -62.203990
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -16.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -189.222861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.222861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.222861 (E_RNA)
where:
Base-Base interactions energy: -129.137
where: short stacking energy: -57.244
Base-Backbone interact. energy: 0.341
local terms energy: -60.425908
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -15.480
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -175.507528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.507528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.507528 (E_RNA)
where:
Base-Base interactions energy: -120.881
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.097
local terms energy: -54.529239
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -12.225
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: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -182.777058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.777058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.777058 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.001
local terms energy: -56.933659
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -11.696
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -14.424
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -170.205051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.205051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.205051 (E_RNA)
where:
Base-Base interactions energy: -119.270
where: short stacking energy: -47.688
Base-Backbone interact. energy: -0.474
local terms energy: -50.460853
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -10.265
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -177.601835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.601835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.601835 (E_RNA)
where:
Base-Base interactions energy: -130.014
where: short stacking energy: -51.269
Base-Backbone interact. energy: -0.334
local terms energy: -47.253322
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -6.478
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -12.706
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: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -158.532234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.532234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.532234 (E_RNA)
where:
Base-Base interactions energy: -109.168
where: short stacking energy: -46.360
Base-Backbone interact. energy: -0.002
local terms energy: -49.361724
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -6.868
tors. eta vs tors. theta energy: -10.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -66.836989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.836989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.836989 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -26.633
Base-Backbone interact. energy: -0.175
local terms energy: -36.940559
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -6.170
flat angles C4'-P-C4' energy: -9.852
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -4.524
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: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -196.553982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.553982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.553982 (E_RNA)
where:
Base-Base interactions energy: -132.382
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.021
local terms energy: -64.151255
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -192.345814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.345814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.345814 (E_RNA)
where:
Base-Base interactions energy: -133.902
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.017
local terms energy: -58.426073
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -186.706368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.706368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.706368 (E_RNA)
where:
Base-Base interactions energy: -127.998
where: short stacking energy: -53.097
Base-Backbone interact. energy: -0.028
local terms energy: -58.681315
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -176.406287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.406287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.406287 (E_RNA)
where:
Base-Base interactions energy: -116.852
where: short stacking energy: -51.012
Base-Backbone interact. energy: -0.003
local terms energy: -59.552138
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -186.375751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.375751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.375751 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.000
local terms energy: -59.520535
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -164.392383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.392383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.392383 (E_RNA)
where:
Base-Base interactions energy: -115.115
where: short stacking energy: -48.431
Base-Backbone interact. energy: -0.047
local terms energy: -49.229585
where:
bonds (distance) C4'-P energy: -5.552
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -168.061149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.061149 (E_RNA)
where:
Base-Base interactions energy: -112.028
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.109
local terms energy: -55.924247
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -8.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -175.292765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.292765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.292765 (E_RNA)
where:
Base-Base interactions energy: -119.053
where: short stacking energy: -52.465
Base-Backbone interact. energy: -0.010
local terms energy: -56.229859
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -14.686
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: 3
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -170.314109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.314109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.314109 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -52.722
Base-Backbone interact. energy: -0.071
local terms energy: -51.712611
where:
bonds (distance) C4'-P energy: -7.287
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -57.507487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.507487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.507487 (E_RNA)
where:
Base-Base interactions energy: -21.928
where: short stacking energy: -13.740
Base-Backbone interact. energy: -0.634
local terms energy: -34.945993
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -6.550
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: 1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -196.984085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.984085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.984085 (E_RNA)
where:
Base-Base interactions energy: -133.241
where: short stacking energy: -61.019
Base-Backbone interact. energy: -0.005
local terms energy: -63.738049
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -191.728307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.728307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.728307 (E_RNA)
where:
Base-Base interactions energy: -136.156
where: short stacking energy: -59.689
Base-Backbone interact. energy: -0.071
local terms energy: -55.501324
where:
bonds (distance) C4'-P energy: -8.607
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -14.614
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: 10
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -184.526354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.526354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.526354 (E_RNA)
where:
Base-Base interactions energy: -126.241
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.011
local terms energy: -58.273970
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.383
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: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -187.026685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.026685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.026685 (E_RNA)
where:
Base-Base interactions energy: -127.757
where: short stacking energy: -58.015
Base-Backbone interact. energy: -0.000
local terms energy: -59.269421
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -13.405
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: 5, replica: 7
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -187.038016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.038016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.038016 (E_RNA)
where:
Base-Base interactions energy: -122.183
where: short stacking energy: -48.912
Base-Backbone interact. energy: 0.396
local terms energy: -65.250877
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -14.511
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: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -170.083601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.083601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.083601 (E_RNA)
where:
Base-Base interactions energy: -119.237
where: short stacking energy: -51.322
Base-Backbone interact. energy: -0.116
local terms energy: -50.731053
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -6.186
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -169.626935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.626935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.626935 (E_RNA)
where:
Base-Base interactions energy: -114.140
where: short stacking energy: -46.521
Base-Backbone interact. energy: -0.018
local terms energy: -55.469017
where:
bonds (distance) C4'-P energy: -7.320
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -9.951
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -173.700526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.700526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.700526 (E_RNA)
where:
Base-Base interactions energy: -118.999
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.000
local terms energy: -54.701077
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -9.988
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -14.693
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: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -166.086139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.086139 (E_RNA)
where:
Base-Base interactions energy: -117.593
where: short stacking energy: -51.451
Base-Backbone interact. energy: -0.012
local terms energy: -48.481312
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -63.376472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.376472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.376472 (E_RNA)
where:
Base-Base interactions energy: -26.214
where: short stacking energy: -26.214
Base-Backbone interact. energy: 0.714
local terms energy: -37.875735
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -10.212
flat angles C4'-P-C4' energy: -7.963
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -194.892310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.892310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.892310 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -63.974
Base-Backbone interact. energy: -0.000
local terms energy: -63.062672
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -185.094051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.094051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.094051 (E_RNA)
where:
Base-Base interactions energy: -130.967
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.662
local terms energy: -53.465621
where:
bonds (distance) C4'-P energy: -8.169
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -191.348524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.348524 (E_RNA)
where:
Base-Base interactions energy: -129.147
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.004
local terms energy: -62.196974
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -15.927
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: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -188.905321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.905321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.905321 (E_RNA)
where:
Base-Base interactions energy: -125.065
where: short stacking energy: -58.320
Base-Backbone interact. energy: -0.757
local terms energy: -63.083273
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.138
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -182.715773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.715773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.715773 (E_RNA)
where:
Base-Base interactions energy: -125.768
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.025
local terms energy: -56.922839
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -10.755
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -15.420
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: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -180.159634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.159634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.159634 (E_RNA)
where:
Base-Base interactions energy: -123.058
where: short stacking energy: -55.121
Base-Backbone interact. energy: -0.002
local terms energy: -57.099521
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -183.536686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.536686 (E_RNA)
where:
Base-Base interactions energy: -123.358
where: short stacking energy: -61.177
Base-Backbone interact. energy: -0.000
local terms energy: -60.178723
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -8.458
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -174.003008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.003008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.003008 (E_RNA)
where:
Base-Base interactions energy: -116.432
where: short stacking energy: -51.825
Base-Backbone interact. energy: -1.351
local terms energy: -56.219507
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -6.305
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -167.283018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.283018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.283018 (E_RNA)
where:
Base-Base interactions energy: -119.942
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.177
local terms energy: -47.163346
where:
bonds (distance) C4'-P energy: -5.821
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -11.087
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -64.624357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.624357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.624357 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -12.013
Base-Backbone interact. energy: -0.396
local terms energy: -37.961160
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -195.947878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.947878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.947878 (E_RNA)
where:
Base-Base interactions energy: -128.833
where: short stacking energy: -57.735
Base-Backbone interact. energy: -0.001
local terms energy: -67.113767
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -18.274
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: 10
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -195.413234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.413234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.413234 (E_RNA)
where:
Base-Base interactions energy: -130.882
where: short stacking energy: -64.869
Base-Backbone interact. energy: 1.201
local terms energy: -65.731915
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -188.712768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.712768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.712768 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -55.341
Base-Backbone interact. energy: -0.018
local terms energy: -54.192539
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -14.277
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: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -180.502490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.502490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.502490 (E_RNA)
where:
Base-Base interactions energy: -122.516
where: short stacking energy: -56.410
Base-Backbone interact. energy: -0.008
local terms energy: -57.978502
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -178.823460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.823460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.823460 (E_RNA)
where:
Base-Base interactions energy: -121.365
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.050
local terms energy: -57.408292
where:
bonds (distance) C4'-P energy: -10.498
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -177.956584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.956584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.956584 (E_RNA)
where:
Base-Base interactions energy: -123.762
where: short stacking energy: -53.462
Base-Backbone interact. energy: -0.814
local terms energy: -53.380606
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -174.899162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.899162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.899162 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -54.962
Base-Backbone interact. energy: -0.001
local terms energy: -55.787054
where:
bonds (distance) C4'-P energy: -8.200
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -174.014304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.014304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.014304 (E_RNA)
where:
Base-Base interactions energy: -115.922
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.003
local terms energy: -58.089973
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -11.032
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -164.309765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.309765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.309765 (E_RNA)
where:
Base-Base interactions energy: -115.505
where: short stacking energy: -53.015
Base-Backbone interact. energy: 0.094
local terms energy: -48.898562
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -8.230
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -14.129
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: 10, replica: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -60.112380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.112380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.112380 (E_RNA)
where:
Base-Base interactions energy: -23.550
where: short stacking energy: -16.454
Base-Backbone interact. energy: -0.203
local terms energy: -36.358624
where:
bonds (distance) C4'-P energy: -10.677
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -3.396
tors. eta vs tors. theta energy: -2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -191.666618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.666618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.666618 (E_RNA)
where:
Base-Base interactions energy: -129.506
where: short stacking energy: -59.625
Base-Backbone interact. energy: -0.289
local terms energy: -61.871952
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -189.374352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.374352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.374352 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -59.971
Base-Backbone interact. energy: -0.000
local terms energy: -58.220786
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -6.293
tors. eta vs tors. theta energy: -15.102
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: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -188.582722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.582722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.582722 (E_RNA)
where:
Base-Base interactions energy: -122.995
where: short stacking energy: -58.959
Base-Backbone interact. energy: -0.004
local terms energy: -65.583400
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -17.370
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -177.039766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.039766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.039766 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -54.465
Base-Backbone interact. energy: -0.001
local terms energy: -51.205453
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -12.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -185.775171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.775171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775171 (E_RNA)
where:
Base-Base interactions energy: -125.506
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.004
local terms energy: -60.266076
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -181.183060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.183060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.183060 (E_RNA)
where:
Base-Base interactions energy: -134.881
where: short stacking energy: -53.448
Base-Backbone interact. energy: -0.006
local terms energy: -46.296025
where:
bonds (distance) C4'-P energy: -9.451
bonds (distance) P-C4' energy: -7.888
flat angles C4'-P-C4' energy: -8.784
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -11.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -186.421448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.421448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.421448 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -57.277
Base-Backbone interact. energy: -0.160
local terms energy: -57.781287
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -16.565
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: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -159.624018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.624018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.624018 (E_RNA)
where:
Base-Base interactions energy: -119.148
where: short stacking energy: -44.545
Base-Backbone interact. energy: -0.111
local terms energy: -40.365705
where:
bonds (distance) C4'-P energy: -6.968
bonds (distance) P-C4' energy: -7.695
flat angles C4'-P-C4' energy: -9.320
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -8.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -162.145732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.145732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.145732 (E_RNA)
where:
Base-Base interactions energy: -115.280
where: short stacking energy: -49.487
Base-Backbone interact. energy: 0.018
local terms energy: -46.883700
where:
bonds (distance) C4'-P energy: -6.409
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -4.981
tors. eta vs tors. theta energy: -13.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -65.049177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.049177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.049177 (E_RNA)
where:
Base-Base interactions energy: -22.356
where: short stacking energy: -20.317
Base-Backbone interact. energy: -0.190
local terms energy: -42.504044
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -192.003901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.003901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.003901 (E_RNA)
where:
Base-Base interactions energy: -127.280
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.015
local terms energy: -64.709172
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -17.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -186.208797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.208797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.208797 (E_RNA)
where:
Base-Base interactions energy: -124.228
where: short stacking energy: -55.759
Base-Backbone interact. energy: -0.007
local terms energy: -61.973774
where:
bonds (distance) C4'-P energy: -10.399
bonds (distance) P-C4' energy: -10.699
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -15.403
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: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -186.895696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.895696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.895696 (E_RNA)
where:
Base-Base interactions energy: -126.153
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.003
local terms energy: -60.739688
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -14.604
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: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -188.896929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.896929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.896929 (E_RNA)
where:
Base-Base interactions energy: -124.261
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.001
local terms energy: -64.634477
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -15.333
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: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -185.246349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.246349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.246349 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -59.966
Base-Backbone interact. energy: 1.301
local terms energy: -57.915542
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -9.112
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -16.493
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: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -178.936380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.936380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.936380 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.001
local terms energy: -53.388017
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -9.728
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -175.911471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.911471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.911471 (E_RNA)
where:
Base-Base interactions energy: -120.192
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.100
local terms energy: -55.619748
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -175.669567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.669567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.669567 (E_RNA)
where:
Base-Base interactions energy: -122.696
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.039
local terms energy: -52.934444
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -6.684
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -16.871
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: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -167.067841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.067841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.067841 (E_RNA)
where:
Base-Base interactions energy: -118.919
where: short stacking energy: -48.669
Base-Backbone interact. energy: -0.097
local terms energy: -48.051999
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -10.715
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: 183
Temperature: 1.350000
Total energy: -62.176932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.176932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.176932 (E_RNA)
where:
Base-Base interactions energy: -19.917
where: short stacking energy: -17.922
Base-Backbone interact. energy: -0.505
local terms energy: -41.754854
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.498
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: 1.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -193.668373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.668373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.668373 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -58.575
Base-Backbone interact. energy: -0.045
local terms energy: -62.728924
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -17.097
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: 10
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -191.722829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.722829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.722829 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.012
local terms energy: -62.934307
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -16.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -188.708894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.708894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.708894 (E_RNA)
where:
Base-Base interactions energy: -138.692
where: short stacking energy: -55.270
Base-Backbone interact. energy: -0.032
local terms energy: -49.985217
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -9.020
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -10.666
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: 9
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -184.617972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.617972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.617972 (E_RNA)
where:
Base-Base interactions energy: -123.258
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.006
local terms energy: -61.353450
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -8.611
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -183.876805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.876805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.876805 (E_RNA)
where:
Base-Base interactions energy: -122.801
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.066
local terms energy: -61.009511
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -11.161
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -15.809
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: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -178.809841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.809841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.809841 (E_RNA)
where:
Base-Base interactions energy: -121.389
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.251
local terms energy: -57.170309
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -12.137
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: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -176.583680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.583680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.583680 (E_RNA)
where:
Base-Base interactions energy: -123.802
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.001
local terms energy: -52.780734
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -6.608
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -15.114
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: 3
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -173.941996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.941996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.941996 (E_RNA)
where:
Base-Base interactions energy: -119.428
where: short stacking energy: -53.972
Base-Backbone interact. energy: 0.025
local terms energy: -54.539732
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -13.021
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: 5
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -168.874891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.874891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.874891 (E_RNA)
where:
Base-Base interactions energy: -114.357
where: short stacking energy: -48.103
Base-Backbone interact. energy: -0.283
local terms energy: -54.234872
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -13.195
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: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.561851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.561851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.561851 (E_RNA)
where:
Base-Base interactions energy: -36.213
where: short stacking energy: -36.213
Base-Backbone interact. energy: -0.018
local terms energy: -42.331109
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -7.492
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: 185
Temperature: 0.900000
Total energy: -195.268741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.268741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.268741 (E_RNA)
where:
Base-Base interactions energy: -132.336
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.245
local terms energy: -62.687848
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -17.270
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: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -192.223113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.223113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.223113 (E_RNA)
where:
Base-Base interactions energy: -130.110
where: short stacking energy: -65.161
Base-Backbone interact. energy: -0.004
local terms energy: -62.109080
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -189.385499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.385499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.385499 (E_RNA)
where:
Base-Base interactions energy: -130.734
where: short stacking energy: -56.945
Base-Backbone interact. energy: -0.628
local terms energy: -58.023010
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -17.092
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: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -184.990479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.990479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.990479 (E_RNA)
where:
Base-Base interactions energy: -125.166
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.028
local terms energy: -59.795992
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -176.167313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.167313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.167313 (E_RNA)
where:
Base-Base interactions energy: -123.586
where: short stacking energy: -51.089
Base-Backbone interact. energy: 0.632
local terms energy: -53.214012
where:
bonds (distance) C4'-P energy: -8.335
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -197.112683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.112683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.112683 (E_RNA)
where:
Base-Base interactions energy: -131.880
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.005
local terms energy: -65.227768
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -14.750
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: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -173.102288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.102288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.102288 (E_RNA)
where:
Base-Base interactions energy: -121.032
where: short stacking energy: -56.777
Base-Backbone interact. energy: 1.784
local terms energy: -53.854617
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -170.600689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.600689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.600689 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -55.234
Base-Backbone interact. energy: -0.000
local terms energy: -51.330080
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -10.538
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: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -173.666344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.666344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.666344 (E_RNA)
where:
Base-Base interactions energy: -115.058
where: short stacking energy: -54.898
Base-Backbone interact. energy: -0.000
local terms energy: -58.607765
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -74.569290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.569290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.569290 (E_RNA)
where:
Base-Base interactions energy: -31.990
where: short stacking energy: -31.990
Base-Backbone interact. energy: -0.304
local terms energy: -42.275166
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -192.434191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.434191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.434191 (E_RNA)
where:
Base-Base interactions energy: -132.771
where: short stacking energy: -63.442
Base-Backbone interact. energy: -0.051
local terms energy: -59.611811
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -186.537522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.537522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.537522 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -64.590
Base-Backbone interact. energy: -0.004
local terms energy: -55.594823
where:
bonds (distance) C4'-P energy: -10.465
bonds (distance) P-C4' energy: -9.220
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -193.659189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.659189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.659189 (E_RNA)
where:
Base-Base interactions energy: -135.396
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.022
local terms energy: -58.240508
where:
bonds (distance) C4'-P energy: -9.613
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -184.271848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.271848 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -56.103
Base-Backbone interact. energy: -0.021
local terms energy: -57.431214
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -15.225
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: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -190.472697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.472697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.472697 (E_RNA)
where:
Base-Base interactions energy: -126.493
where: short stacking energy: -58.824
Base-Backbone interact. energy: -0.000
local terms energy: -63.978975
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.680
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -175.907846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.907846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.907846 (E_RNA)
where:
Base-Base interactions energy: -122.974
where: short stacking energy: -55.560
Base-Backbone interact. energy: -0.008
local terms energy: -52.925746
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -10.865
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: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -172.536971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.536971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.536971 (E_RNA)
where:
Base-Base interactions energy: -121.600
where: short stacking energy: -48.118
Base-Backbone interact. energy: -0.058
local terms energy: -50.878985
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -7.477
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -171.467900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.467900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.467900 (E_RNA)
where:
Base-Base interactions energy: -115.840
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.035
local terms energy: -55.592989
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -172.751795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.751795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.751795 (E_RNA)
where:
Base-Base interactions energy: -118.877
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.053
local terms energy: -53.821390
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -8.789
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -12.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -62.592539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.592539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.592539 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -27.929
Base-Backbone interact. energy: -0.037
local terms energy: -34.626251
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -8.675
flat angles C4'-P-C4' energy: -9.937
flat angles P-C4'-P energy: -2.670
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -195.880726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.880726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.880726 (E_RNA)
where:
Base-Base interactions energy: -131.820
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.041
local terms energy: -64.019751
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -9.667
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -188.601618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.601618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.601618 (E_RNA)
where:
Base-Base interactions energy: -128.594
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.001
local terms energy: -60.006456
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -190.513301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513301 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.011
local terms energy: -57.968819
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -8.440
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -182.166827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.166827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.166827 (E_RNA)
where:
Base-Base interactions energy: -125.413
where: short stacking energy: -52.822
Base-Backbone interact. energy: -0.145
local terms energy: -56.609471
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.716
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: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -182.382745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.382745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.382745 (E_RNA)
where:
Base-Base interactions energy: -124.016
where: short stacking energy: -57.950
Base-Backbone interact. energy: -0.044
local terms energy: -58.322169
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -14.408
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: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -175.114687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114687 (E_RNA)
where:
Base-Base interactions energy: -120.971
where: short stacking energy: -58.891
Base-Backbone interact. energy: 0.307
local terms energy: -54.450880
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -12.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -181.795624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.795624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.795624 (E_RNA)
where:
Base-Base interactions energy: -122.587
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.009
local terms energy: -59.200254
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -170.815012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.815012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.815012 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -53.261
Base-Backbone interact. energy: -0.002
local terms energy: -48.118918
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -8.321
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -11.763
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -162.634051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.634051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.634051 (E_RNA)
where:
Base-Base interactions energy: -116.599
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.795
local terms energy: -45.239773
where:
bonds (distance) C4'-P energy: -3.249
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -9.597
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: 187
Temperature: 1.350000
Total energy: -73.957653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.957653 (E_RNA)
where:
Base-Base interactions energy: -23.591
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.095
local terms energy: -50.271767
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -194.826638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.826638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.826638 (E_RNA)
where:
Base-Base interactions energy: -133.594
where: short stacking energy: -57.915
Base-Backbone interact. energy: -0.005
local terms energy: -61.227603
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -186.264725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.264725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.264725 (E_RNA)
where:
Base-Base interactions energy: -128.752
where: short stacking energy: -53.426
Base-Backbone interact. energy: 0.561
local terms energy: -58.073793
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -187.906566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906566 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -52.955
Base-Backbone interact. energy: -0.032
local terms energy: -56.822430
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -186.239725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.239725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.239725 (E_RNA)
where:
Base-Base interactions energy: -128.669
where: short stacking energy: -57.860
Base-Backbone interact. energy: -0.001
local terms energy: -57.570269
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -14.157
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: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -183.691201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.691201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.691201 (E_RNA)
where:
Base-Base interactions energy: -131.485
where: short stacking energy: -51.467
Base-Backbone interact. energy: -0.666
local terms energy: -51.540978
where:
bonds (distance) C4'-P energy: -9.430
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -9.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -186.630777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.630777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.630777 (E_RNA)
where:
Base-Base interactions energy: -131.401
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.002
local terms energy: -55.227857
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -172.346995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.346995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.346995 (E_RNA)
where:
Base-Base interactions energy: -117.008
where: short stacking energy: -52.198
Base-Backbone interact. energy: -0.016
local terms energy: -55.323524
where:
bonds (distance) C4'-P energy: -7.431
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -13.902
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: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -156.756467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.756467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.756467 (E_RNA)
where:
Base-Base interactions energy: -105.892
where: short stacking energy: -44.374
Base-Backbone interact. energy: -0.175
local terms energy: -50.688795
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -10.865
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: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -171.253391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.253391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.253391 (E_RNA)
where:
Base-Base interactions energy: -114.879
where: short stacking energy: -46.754
Base-Backbone interact. energy: -0.101
local terms energy: -56.273616
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -13.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -71.558836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.558836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.558836 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -24.266
Base-Backbone interact. energy: -0.100
local terms energy: -46.510001
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -4.493
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: 189
Temperature: 0.900000
Total energy: -195.448827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.448827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.448827 (E_RNA)
where:
Base-Base interactions energy: -128.888
where: short stacking energy: -59.784
Base-Backbone interact. energy: -0.227
local terms energy: -66.334117
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.465
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: 9
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -190.679775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.679775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.679775 (E_RNA)
where:
Base-Base interactions energy: -139.559
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.261
local terms energy: -50.860042
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -10.461
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -12.524
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: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -180.762508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762508 (E_RNA)
where:
Base-Base interactions energy: -123.406
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.003
local terms energy: -57.353443
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -185.431480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.431480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.431480 (E_RNA)
where:
Base-Base interactions energy: -130.975
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.093
local terms energy: -54.363751
where:
bonds (distance) C4'-P energy: -10.248
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -6.917
tors. eta vs tors. theta energy: -15.105
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: 6
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -184.640279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.640279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.640279 (E_RNA)
where:
Base-Base interactions energy: -126.721
where: short stacking energy: -58.664
Base-Backbone interact. energy: -0.015
local terms energy: -57.904771
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -9.712
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -16.194
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -186.602355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.602355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.602355 (E_RNA)
where:
Base-Base interactions energy: -131.964
where: short stacking energy: -60.262
Base-Backbone interact. energy: -0.047
local terms energy: -54.591228
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -9.959
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -15.297
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: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -186.177579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.177579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.177579 (E_RNA)
where:
Base-Base interactions energy: -128.794
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.005
local terms energy: -57.378148
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -9.803
flat angles C4'-P-C4' energy: -8.805
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -162.372007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.372007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.372007 (E_RNA)
where:
Base-Base interactions energy: -114.512
where: short stacking energy: -47.687
Base-Backbone interact. energy: -0.026
local terms energy: -47.834195
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -10.665
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -9.157
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: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -171.241466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.241466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.241466 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -48.820
Base-Backbone interact. energy: -1.263
local terms energy: -40.791230
where:
bonds (distance) C4'-P energy: -6.807
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -1.900
tors. eta vs tors. theta energy: -10.760
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: 189
Temperature: 1.350000
Total energy: -66.358802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.358802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.358802 (E_RNA)
where:
Base-Base interactions energy: -22.192
where: short stacking energy: -22.192
Base-Backbone interact. energy: -0.058
local terms energy: -44.108261
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -193.464410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.464410 (E_RNA)
where:
Base-Base interactions energy: -131.542
where: short stacking energy: -59.104
Base-Backbone interact. energy: -0.000
local terms energy: -61.922746
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -191.623125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.623125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623125 (E_RNA)
where:
Base-Base interactions energy: -135.625
where: short stacking energy: -55.331
Base-Backbone interact. energy: -1.255
local terms energy: -54.743981
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -10.476
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -182.297071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.297071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.297071 (E_RNA)
where:
Base-Base interactions energy: -124.679
where: short stacking energy: -53.769
Base-Backbone interact. energy: -0.286
local terms energy: -57.332891
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -176.876574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.876574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.876574 (E_RNA)
where:
Base-Base interactions energy: -122.107
where: short stacking energy: -49.224
Base-Backbone interact. energy: -0.004
local terms energy: -54.766185
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -10.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -190.386963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386963 (E_RNA)
where:
Base-Base interactions energy: -128.875
where: short stacking energy: -60.223
Base-Backbone interact. energy: -0.001
local terms energy: -61.511476
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -16.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -181.872077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.872077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.872077 (E_RNA)
where:
Base-Base interactions energy: -125.035
where: short stacking energy: -55.342
Base-Backbone interact. energy: -0.098
local terms energy: -56.739428
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -10.900
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -12.946
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: 3
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -169.265870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.265870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.265870 (E_RNA)
where:
Base-Base interactions energy: -112.608
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.001
local terms energy: -56.657175
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -178.296657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.296657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.296657 (E_RNA)
where:
Base-Base interactions energy: -119.815
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.055
local terms energy: -58.425830
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -5.597
tors. eta vs tors. theta energy: -17.757
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: 9, replica: 7
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -152.883065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.883065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.883065 (E_RNA)
where:
Base-Base interactions energy: -110.689
where: short stacking energy: -41.958
Base-Backbone interact. energy: -0.214
local terms energy: -41.979612
where:
bonds (distance) C4'-P energy: -7.459
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -3.438
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -69.189362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.189362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.189362 (E_RNA)
where:
Base-Base interactions energy: -26.973
where: short stacking energy: -26.973
Base-Backbone interact. energy: -0.137
local terms energy: -42.079506
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -7.911
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: 1.198
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: 1, replica: 1
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -197.833660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.833660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.833660 (E_RNA)
where:
Base-Base interactions energy: -133.754
where: short stacking energy: -55.414
Base-Backbone interact. energy: -0.143
local terms energy: -63.936300
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -194.113957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.113957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.113957 (E_RNA)
where:
Base-Base interactions energy: -136.071
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.487
local terms energy: -57.556006
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -10.994
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: 5
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -189.507613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.507613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.507613 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.001
local terms energy: -66.401541
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -186.047344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.047344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.047344 (E_RNA)
where:
Base-Base interactions energy: -125.014
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.010
local terms energy: -61.023224
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -14.848
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -178.752950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.752950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.752950 (E_RNA)
where:
Base-Base interactions energy: -123.314
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.440
local terms energy: -54.999012
where:
bonds (distance) C4'-P energy: -9.329
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -12.944
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: 191
Temperature: 1.150000
Total energy: -185.360077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.360077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.360077 (E_RNA)
where:
Base-Base interactions energy: -125.231
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.003
local terms energy: -60.126780
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -11.026
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -7.244
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: 7, replica: 2
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -179.133176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.133176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.133176 (E_RNA)
where:
Base-Base interactions energy: -121.391
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.004
local terms energy: -57.738995
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -14.027
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: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -175.654238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.654238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.654238 (E_RNA)
where:
Base-Base interactions energy: -121.481
where: short stacking energy: -53.481
Base-Backbone interact. energy: -0.002
local terms energy: -54.171133
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -5.431
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: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -158.279864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.279864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.279864 (E_RNA)
where:
Base-Base interactions energy: -111.205
where: short stacking energy: -48.148
Base-Backbone interact. energy: -0.001
local terms energy: -47.073497
where:
bonds (distance) C4'-P energy: -6.073
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -63.212916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.212916 (E_RNA)
where:
Base-Base interactions energy: -24.167
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.842
local terms energy: -38.204230
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -9.250
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -6.297
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -194.748747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.748747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.748747 (E_RNA)
where:
Base-Base interactions energy: -133.119
where: short stacking energy: -53.241
Base-Backbone interact. energy: -1.316
local terms energy: -60.314100
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -13.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -194.462675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.462675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.462675 (E_RNA)
where:
Base-Base interactions energy: -133.727
where: short stacking energy: -61.831
Base-Backbone interact. energy: -0.005
local terms energy: -60.730563
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.412
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -188.049152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.049152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.049152 (E_RNA)
where:
Base-Base interactions energy: -130.618
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.447
local terms energy: -56.983954
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -9.503
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: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -181.665845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.665845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.665845 (E_RNA)
where:
Base-Base interactions energy: -126.200
where: short stacking energy: -56.462
Base-Backbone interact. energy: -0.029
local terms energy: -55.437086
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -185.044893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.044893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.044893 (E_RNA)
where:
Base-Base interactions energy: -128.113
where: short stacking energy: -52.858
Base-Backbone interact. energy: -0.003
local terms energy: -56.929445
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -9.137
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: 6, replica: 10
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -183.254834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.254834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.254834 (E_RNA)
where:
Base-Base interactions energy: -124.293
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.042
local terms energy: -58.920315
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -14.596
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -172.800187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.800187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.800187 (E_RNA)
where:
Base-Base interactions energy: -121.461
where: short stacking energy: -52.216
Base-Backbone interact. energy: 1.414
local terms energy: -52.753001
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -12.864
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: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -166.562902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.562902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.562902 (E_RNA)
where:
Base-Base interactions energy: -118.745
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.076
local terms energy: -47.742462
where:
bonds (distance) C4'-P energy: -8.163
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -164.378608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.378608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.378608 (E_RNA)
where:
Base-Base interactions energy: -113.737
where: short stacking energy: -51.074
Base-Backbone interact. energy: -0.164
local terms energy: -50.478204
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -9.316
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -11.687
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: 192
Temperature: 1.350000
Total energy: -68.910278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.910278 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -17.624
Base-Backbone interact. energy: -0.011
local terms energy: -40.028865
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: 3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -193.873094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.873094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.873094 (E_RNA)
where:
Base-Base interactions energy: -141.473
where: short stacking energy: -53.932
Base-Backbone interact. energy: -0.052
local terms energy: -52.348387
where:
bonds (distance) C4'-P energy: -9.365
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -11.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -190.384995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384995 (E_RNA)
where:
Base-Base interactions energy: -124.669
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.002
local terms energy: -65.713929
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -185.127109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.127109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.127109 (E_RNA)
where:
Base-Base interactions energy: -127.002
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.010
local terms energy: -58.115175
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -185.579889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.579889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.579889 (E_RNA)
where:
Base-Base interactions energy: -129.651
where: short stacking energy: -53.994
Base-Backbone interact. energy: -0.723
local terms energy: -55.205741
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -11.748
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: 6
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -178.242117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.242117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.242117 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -56.100
Base-Backbone interact. energy: -0.001
local terms energy: -56.845869
where:
bonds (distance) C4'-P energy: -10.140
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -12.599
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: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -183.274896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.274896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.274896 (E_RNA)
where:
Base-Base interactions energy: -130.020
where: short stacking energy: -61.397
Base-Backbone interact. energy: -0.000
local terms energy: -53.255053
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -6.834
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.532
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: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -180.568826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.568826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.568826 (E_RNA)
where:
Base-Base interactions energy: -127.262
where: short stacking energy: -59.564
Base-Backbone interact. energy: -0.011
local terms energy: -53.296387
where:
bonds (distance) C4'-P energy: -10.726
bonds (distance) P-C4' energy: -5.897
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -168.598868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.598868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.598868 (E_RNA)
where:
Base-Base interactions energy: -114.969
where: short stacking energy: -49.484
Base-Backbone interact. energy: -0.317
local terms energy: -53.313166
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -9.966
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: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -164.520458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.520458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.520458 (E_RNA)
where:
Base-Base interactions energy: -120.763
where: short stacking energy: -48.561
Base-Backbone interact. energy: -0.695
local terms energy: -43.062770
where:
bonds (distance) C4'-P energy: -3.880
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -68.490187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.490187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.490187 (E_RNA)
where:
Base-Base interactions energy: -28.793
where: short stacking energy: -26.833
Base-Backbone interact. energy: -0.232
local terms energy: -39.465111
where:
bonds (distance) C4'-P energy: -5.118
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -197.399305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399305 (E_RNA)
where:
Base-Base interactions energy: -136.041
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.193
local terms energy: -61.165302
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -189.642555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.642555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.642555 (E_RNA)
where:
Base-Base interactions energy: -126.861
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.000
local terms energy: -62.781465
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -189.898177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898177 (E_RNA)
where:
Base-Base interactions energy: -129.225
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.108
local terms energy: -60.564744
where:
bonds (distance) C4'-P energy: -9.223
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -14.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -185.631321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.631321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.631321 (E_RNA)
where:
Base-Base interactions energy: -126.741
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.587
local terms energy: -58.303295
where:
bonds (distance) C4'-P energy: -8.751
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -181.888293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.888293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.888293 (E_RNA)
where:
Base-Base interactions energy: -124.877
where: short stacking energy: -57.151
Base-Backbone interact. energy: -0.296
local terms energy: -56.715277
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -17.082
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: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -175.803517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.803517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.803517 (E_RNA)
where:
Base-Base interactions energy: -119.398
where: short stacking energy: -49.995
Base-Backbone interact. energy: -0.294
local terms energy: -56.111610
where:
bonds (distance) C4'-P energy: -10.351
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -13.220
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: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -170.646738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.646738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.646738 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.211
local terms energy: -57.634544
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -14.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -176.106038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.106038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.106038 (E_RNA)
where:
Base-Base interactions energy: -123.418
where: short stacking energy: -51.996
Base-Backbone interact. energy: -0.151
local terms energy: -52.536912
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -10.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -159.271785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.271785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.271785 (E_RNA)
where:
Base-Base interactions energy: -114.266
where: short stacking energy: -49.776
Base-Backbone interact. energy: -0.006
local terms energy: -45.000131
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -4.126
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -10.872
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: 194
Temperature: 1.350000
Total energy: -76.616151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.616151 (E_RNA)
where:
Base-Base interactions energy: -37.290
where: short stacking energy: -35.910
Base-Backbone interact. energy: -0.016
local terms energy: -39.309646
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -1.202
tors. eta vs tors. theta energy: -3.807
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: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -193.716116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.716116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.716116 (E_RNA)
where:
Base-Base interactions energy: -141.587
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.190
local terms energy: -51.938554
where:
bonds (distance) C4'-P energy: -8.023
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -190.655112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.655112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.655112 (E_RNA)
where:
Base-Base interactions energy: -129.200
where: short stacking energy: -59.415
Base-Backbone interact. energy: 0.485
local terms energy: -61.940654
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -189.183965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.183965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.183965 (E_RNA)
where:
Base-Base interactions energy: -136.256
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.033
local terms energy: -52.895174
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -12.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -184.888113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.888113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.888113 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -58.914
Base-Backbone interact. energy: 0.326
local terms energy: -59.304256
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -188.885739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.885739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.885739 (E_RNA)
where:
Base-Base interactions energy: -128.047
where: short stacking energy: -57.879
Base-Backbone interact. energy: -0.099
local terms energy: -60.739518
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -178.807704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.807704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.807704 (E_RNA)
where:
Base-Base interactions energy: -118.487
where: short stacking energy: -52.191
Base-Backbone interact. energy: 0.403
local terms energy: -60.723433
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -14.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -175.294014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.294014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.294014 (E_RNA)
where:
Base-Base interactions energy: -125.542
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.001
local terms energy: -49.751249
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -171.339692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.339692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.339692 (E_RNA)
where:
Base-Base interactions energy: -118.137
where: short stacking energy: -51.475
Base-Backbone interact. energy: -0.019
local terms energy: -53.184381
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -170.611823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.611823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.611823 (E_RNA)
where:
Base-Base interactions energy: -124.273
where: short stacking energy: -55.121
Base-Backbone interact. energy: -0.009
local terms energy: -46.329659
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -6.697
flat angles C4'-P-C4' energy: -9.835
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -15.431
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: 10, replica: 4
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -69.676157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.676157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.676157 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -22.940
Base-Backbone interact. energy: -0.017
local terms energy: -36.136828
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -189.973890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.973890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.973890 (E_RNA)
where:
Base-Base interactions energy: -127.334
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.822
local terms energy: -61.818596
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -10.257
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -15.237
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: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -195.536484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.536484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.536484 (E_RNA)
where:
Base-Base interactions energy: -135.641
where: short stacking energy: -54.146
Base-Backbone interact. energy: 0.211
local terms energy: -60.105910
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -12.155
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: 196
Temperature: 1.000000
Total energy: -179.422660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.422660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.422660 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.001
local terms energy: -57.672330
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -13.734
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: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -185.834614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.834614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.834614 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -52.767
Base-Backbone interact. energy: -1.333
local terms energy: -52.000738
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -9.716
flat angles C4'-P-C4' energy: -10.509
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -181.152415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.152415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.152415 (E_RNA)
where:
Base-Base interactions energy: -126.005
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.029
local terms energy: -55.118317
where:
bonds (distance) C4'-P energy: -5.038
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -14.961
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: 196
Temperature: 1.150000
Total energy: -172.757583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.757583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.757583 (E_RNA)
where:
Base-Base interactions energy: -118.109
where: short stacking energy: -50.095
Base-Backbone interact. energy: -0.097
local terms energy: -54.551704
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -9.905
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -13.135
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: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -175.528844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528844 (E_RNA)
where:
Base-Base interactions energy: -128.143
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.001
local terms energy: -47.384998
where:
bonds (distance) C4'-P energy: -6.276
bonds (distance) P-C4' energy: -8.830
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -181.512934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512934 (E_RNA)
where:
Base-Base interactions energy: -122.150
where: short stacking energy: -55.602
Base-Backbone interact. energy: -0.030
local terms energy: -59.333104
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -13.809
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: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -162.027839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.027839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.027839 (E_RNA)
where:
Base-Base interactions energy: -115.217
where: short stacking energy: -45.625
Base-Backbone interact. energy: -0.632
local terms energy: -46.178332
where:
bonds (distance) C4'-P energy: -7.276
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -70.772058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.772058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.772058 (E_RNA)
where:
Base-Base interactions energy: -29.046
where: short stacking energy: -25.208
Base-Backbone interact. energy: -0.608
local terms energy: -41.118381
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -4.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -189.281552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.281552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.281552 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -62.555
Base-Backbone interact. energy: -0.013
local terms energy: -55.738030
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -191.916681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.916681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.916681 (E_RNA)
where:
Base-Base interactions energy: -136.066
where: short stacking energy: -57.897
Base-Backbone interact. energy: -0.044
local terms energy: -55.807350
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -193.440913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.440913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.440913 (E_RNA)
where:
Base-Base interactions energy: -131.045
where: short stacking energy: -60.910
Base-Backbone interact. energy: -0.001
local terms energy: -62.395134
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -187.823507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.823507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.823507 (E_RNA)
where:
Base-Base interactions energy: -132.087
where: short stacking energy: -60.382
Base-Backbone interact. energy: -0.044
local terms energy: -55.692120
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -8.116
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -13.275
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: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -185.336728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.336728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.336728 (E_RNA)
where:
Base-Base interactions energy: -125.780
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.470
local terms energy: -59.086789
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -13.322
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: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -174.661278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.661278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.661278 (E_RNA)
where:
Base-Base interactions energy: -120.837
where: short stacking energy: -54.537
Base-Backbone interact. energy: -0.000
local terms energy: -53.824002
where:
bonds (distance) C4'-P energy: -7.394
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -176.214436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.214436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.214436 (E_RNA)
where:
Base-Base interactions energy: -119.399
where: short stacking energy: -51.314
Base-Backbone interact. energy: -0.122
local terms energy: -56.693656
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -10.019
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.621
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: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -171.816502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.816502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.816502 (E_RNA)
where:
Base-Base interactions energy: -115.846
where: short stacking energy: -47.419
Base-Backbone interact. energy: -0.004
local terms energy: -55.966600
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -163.122483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.122483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.122483 (E_RNA)
where:
Base-Base interactions energy: -109.739
where: short stacking energy: -44.183
Base-Backbone interact. energy: -0.101
local terms energy: -53.282269
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -73.336344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.336344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.336344 (E_RNA)
where:
Base-Base interactions energy: -32.369
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.151
local terms energy: -40.816077
where:
bonds (distance) C4'-P energy: -8.773
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -183.929946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.929946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.929946 (E_RNA)
where:
Base-Base interactions energy: -127.081
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.012
local terms energy: -56.837228
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -10.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -184.272957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.272957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.272957 (E_RNA)
where:
Base-Base interactions energy: -123.378
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.004
local terms energy: -60.891046
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -9.857
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: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -189.589236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.589236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.589236 (E_RNA)
where:
Base-Base interactions energy: -130.998
where: short stacking energy: -60.010
Base-Backbone interact. energy: -0.005
local terms energy: -58.587124
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -190.334954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.334954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.334954 (E_RNA)
where:
Base-Base interactions energy: -129.236
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.006
local terms energy: -61.092878
where:
bonds (distance) C4'-P energy: -9.473
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -17.431
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: 198
Temperature: 1.100000
Total energy: -174.445802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.445802 (E_RNA)
where:
Base-Base interactions energy: -124.426
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.086
local terms energy: -49.933425
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -10.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -180.338438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.338438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.338438 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -52.048
Base-Backbone interact. energy: -0.905
local terms energy: -51.826475
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -183.953149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.953149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.953149 (E_RNA)
where:
Base-Base interactions energy: -126.779
where: short stacking energy: -56.514
Base-Backbone interact. energy: -0.592
local terms energy: -56.582927
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -10.219
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -15.809
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: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -172.873758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.873758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.873758 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -56.817
Base-Backbone interact. energy: -0.010
local terms energy: -52.688782
where:
bonds (distance) C4'-P energy: -8.532
bonds (distance) P-C4' energy: -5.344
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -18.277
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: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -171.952048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.952048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.952048 (E_RNA)
where:
Base-Base interactions energy: -122.269
where: short stacking energy: -53.939
Base-Backbone interact. energy: -0.049
local terms energy: -49.633691
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -7.532
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -12.229
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: 198
Temperature: 1.350000
Total energy: -74.745559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.745559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.745559 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.097
local terms energy: -39.318406
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -7.498
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -190.510769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.510769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.510769 (E_RNA)
where:
Base-Base interactions energy: -128.632
where: short stacking energy: -57.801
Base-Backbone interact. energy: -0.008
local terms energy: -61.871023
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -14.250
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: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -189.284521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.284521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.284521 (E_RNA)
where:
Base-Base interactions energy: -130.477
where: short stacking energy: -56.464
Base-Backbone interact. energy: -0.000
local terms energy: -58.807160
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -13.522
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: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -182.963509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.963509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.963509 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -53.788
Base-Backbone interact. energy: -0.045
local terms energy: -55.741003
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -13.035
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: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -189.512376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.512376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.512376 (E_RNA)
where:
Base-Base interactions energy: -129.279
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.001
local terms energy: -60.232441
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -13.481
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: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -177.423030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.423030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.423030 (E_RNA)
where:
Base-Base interactions energy: -124.247
where: short stacking energy: -57.144
Base-Backbone interact. energy: -0.279
local terms energy: -52.896787
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -14.502
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: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -169.511608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.511608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.511608 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -49.508
Base-Backbone interact. energy: -0.655
local terms energy: -52.117064
where:
bonds (distance) C4'-P energy: -7.408
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -11.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -177.481496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.481496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.481496 (E_RNA)
where:
Base-Base interactions energy: -117.696
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.004
local terms energy: -59.780901
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -175.078409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.078409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.078409 (E_RNA)
where:
Base-Base interactions energy: -123.552
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.003
local terms energy: -51.523551
where:
bonds (distance) C4'-P energy: -6.359
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -15.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -176.144105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.144105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.144105 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.062
local terms energy: -60.033931
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -15.615
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: 10, replica: 4
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -66.813759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.813759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.813759 (E_RNA)
where:
Base-Base interactions energy: -30.163
where: short stacking energy: -30.163
Base-Backbone interact. energy: -0.177
local terms energy: -36.473836
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: 3.038
tors. eta vs tors. theta energy: -5.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -196.333953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.333953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.333953 (E_RNA)
where:
Base-Base interactions energy: -134.231
where: short stacking energy: -59.203
Base-Backbone interact. energy: -0.000
local terms energy: -62.102852
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -14.684
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: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -190.195643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.195643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.195643 (E_RNA)
where:
Base-Base interactions energy: -131.135
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.000
local terms energy: -59.060043
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -185.560524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.560524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.560524 (E_RNA)
where:
Base-Base interactions energy: -122.760
where: short stacking energy: -58.571
Base-Backbone interact. energy: -0.336
local terms energy: -62.464520
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -14.061
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: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -182.307053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307053 (E_RNA)
where:
Base-Base interactions energy: -128.248
where: short stacking energy: -60.249
Base-Backbone interact. energy: 0.088
local terms energy: -54.146807
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -184.566747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.566747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.566747 (E_RNA)
where:
Base-Base interactions energy: -124.546
where: short stacking energy: -50.415
Base-Backbone interact. energy: -0.107
local terms energy: -59.914196
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -183.557528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.557528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.557528 (E_RNA)
where:
Base-Base interactions energy: -126.864
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.000
local terms energy: -56.692870
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -173.202306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.202306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.202306 (E_RNA)
where:
Base-Base interactions energy: -122.919
where: short stacking energy: -54.368
Base-Backbone interact. energy: 3.000
local terms energy: -53.284128
where:
bonds (distance) C4'-P energy: -7.738
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -13.396
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: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -166.670464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.670464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.670464 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -49.674
Base-Backbone interact. energy: -0.031
local terms energy: -51.822232
where:
bonds (distance) C4'-P energy: -9.459
bonds (distance) P-C4' energy: -9.893
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -11.647
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -172.724423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.724423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.724423 (E_RNA)
where:
Base-Base interactions energy: -122.063
where: short stacking energy: -58.132
Base-Backbone interact. energy: -0.001
local terms energy: -50.661075
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -13.299
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: 4
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -69.538217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.538217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.538217 (E_RNA)
where:
Base-Base interactions energy: -31.583
where: short stacking energy: -20.096
Base-Backbone interact. energy: -0.090
local terms energy: -37.864460
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -10.650
flat angles C4'-P-C4' energy: -6.210
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -196.241930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.241930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.241930 (E_RNA)
where:
Base-Base interactions energy: -137.103
where: short stacking energy: -61.758
Base-Backbone interact. energy: -0.000
local terms energy: -59.138671
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -187.299303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.299303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.299303 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -56.392
Base-Backbone interact. energy: -0.011
local terms energy: -60.356761
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -14.076
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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -189.753291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.753291 (E_RNA)
where:
Base-Base interactions energy: -131.073
where: short stacking energy: -62.129
Base-Backbone interact. energy: -0.001
local terms energy: -58.678660
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -182.605424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.605424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.605424 (E_RNA)
where:
Base-Base interactions energy: -128.807
where: short stacking energy: -51.303
Base-Backbone interact. energy: -0.126
local terms energy: -53.672714
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -11.258
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: 5, replica: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -178.106522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.106522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.106522 (E_RNA)
where:
Base-Base interactions energy: -123.271
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.676
local terms energy: -54.159609
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -177.840091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.840091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.840091 (E_RNA)
where:
Base-Base interactions energy: -122.078
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.000
local terms energy: -55.762006
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -14.561
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: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -169.322072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.322072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.322072 (E_RNA)
where:
Base-Base interactions energy: -118.253
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.003
local terms energy: -51.066044
where:
bonds (distance) C4'-P energy: -6.717
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -172.383142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.383142 (E_RNA)
where:
Base-Base interactions energy: -121.236
where: short stacking energy: -43.474
Base-Backbone interact. energy: -0.339
local terms energy: -50.808808
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -167.422060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.422060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.422060 (E_RNA)
where:
Base-Base interactions energy: -116.163
where: short stacking energy: -49.952
Base-Backbone interact. energy: -0.014
local terms energy: -51.245363
where:
bonds (distance) C4'-P energy: -5.910
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -13.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -80.056832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.056832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.056832 (E_RNA)
where:
Base-Base interactions energy: -41.589
where: short stacking energy: -22.498
Base-Backbone interact. energy: -0.234
local terms energy: -38.234429
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -9.714
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -4.395
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: 7
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -194.300163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.300163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.300163 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -60.125
Base-Backbone interact. energy: -0.020
local terms energy: -62.222427
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -193.393265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.393265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.393265 (E_RNA)
where:
Base-Base interactions energy: -133.661
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.001
local terms energy: -59.730916
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -17.356
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: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -190.484977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.484977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.484977 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.023
local terms energy: -60.800594
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -8.198
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -189.628106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.628106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.628106 (E_RNA)
where:
Base-Base interactions energy: -128.968
where: short stacking energy: -60.088
Base-Backbone interact. energy: -0.325
local terms energy: -60.335083
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -174.352813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.352813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.352813 (E_RNA)
where:
Base-Base interactions energy: -125.560
where: short stacking energy: -53.346
Base-Backbone interact. energy: 2.003
local terms energy: -50.796282
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -9.814
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -174.318790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.318790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318790 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -53.668
Base-Backbone interact. energy: -0.179
local terms energy: -55.462521
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -176.966903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.966903 (E_RNA)
where:
Base-Base interactions energy: -116.049
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.016
local terms energy: -60.902089
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -16.321
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: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -170.433128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.433128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.433128 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.176
local terms energy: -52.749860
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -12.033
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -12.221
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: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -154.863172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.863172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.863172 (E_RNA)
where:
Base-Base interactions energy: -108.953
where: short stacking energy: -45.287
Base-Backbone interact. energy: -0.478
local terms energy: -45.432120
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -9.907
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -75.125745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.125745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.125745 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -23.073
Base-Backbone interact. energy: -0.011
local terms energy: -48.894294
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -4.599
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: 7
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -197.838299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.838299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.838299 (E_RNA)
where:
Base-Base interactions energy: -135.509
where: short stacking energy: -62.926
Base-Backbone interact. energy: -0.001
local terms energy: -62.328180
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -10.881
flat angles C4'-P-C4' energy: -11.867
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -16.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -196.092697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.092697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.092697 (E_RNA)
where:
Base-Base interactions energy: -132.219
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.000
local terms energy: -63.873784
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -190.153207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.153207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.153207 (E_RNA)
where:
Base-Base interactions energy: -132.659
where: short stacking energy: -60.531
Base-Backbone interact. energy: -0.156
local terms energy: -57.338620
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.543
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: 9
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -185.121898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121898 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.028
local terms energy: -59.571664
where:
bonds (distance) C4'-P energy: -9.762
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -14.031
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -185.706973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.706973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.706973 (E_RNA)
where:
Base-Base interactions energy: -123.617
where: short stacking energy: -57.983
Base-Backbone interact. energy: -0.045
local terms energy: -62.045728
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -165.766347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.766347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.766347 (E_RNA)
where:
Base-Base interactions energy: -126.516
where: short stacking energy: -48.904
Base-Backbone interact. energy: -0.293
local terms energy: -38.957277
where:
bonds (distance) C4'-P energy: -9.828
bonds (distance) P-C4' energy: -6.491
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -181.382862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.382862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.382862 (E_RNA)
where:
Base-Base interactions energy: -125.499
where: short stacking energy: -58.866
Base-Backbone interact. energy: -0.000
local terms energy: -55.883637
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -177.590545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590545 (E_RNA)
where:
Base-Base interactions energy: -117.542
where: short stacking energy: -47.617
Base-Backbone interact. energy: -0.345
local terms energy: -59.703121
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -11.305
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: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -166.641821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.641821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.641821 (E_RNA)
where:
Base-Base interactions energy: -111.818
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.024
local terms energy: -54.800494
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -8.901
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -15.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -63.649745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.649745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.649745 (E_RNA)
where:
Base-Base interactions energy: -29.946
where: short stacking energy: -15.018
Base-Backbone interact. energy: -0.065
local terms energy: -33.638457
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -8.982
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -195.604709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.604709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.604709 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.051
local terms energy: -63.773887
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -15.140
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: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -186.868525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.868525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.868525 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -58.586
Base-Backbone interact. energy: -0.009
local terms energy: -56.847251
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -12.733
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -188.090588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090588 (E_RNA)
where:
Base-Base interactions energy: -128.653
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.247
local terms energy: -59.190277
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -11.570
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -15.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -193.258013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.258013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.258013 (E_RNA)
where:
Base-Base interactions energy: -130.738
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.012
local terms energy: -62.508299
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.633
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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -164.945440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.945440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.945440 (E_RNA)
where:
Base-Base interactions energy: -116.240
where: short stacking energy: -51.218
Base-Backbone interact. energy: -0.314
local terms energy: -48.390575
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -8.317
flat angles C4'-P-C4' energy: -10.452
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -13.208
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: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -181.778640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.778640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.778640 (E_RNA)
where:
Base-Base interactions energy: -122.355
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.000
local terms energy: -59.422892
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -16.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -176.600190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.600190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.600190 (E_RNA)
where:
Base-Base interactions energy: -123.420
where: short stacking energy: -58.454
Base-Backbone interact. energy: -0.001
local terms energy: -53.179172
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -175.757714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.757714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.757714 (E_RNA)
where:
Base-Base interactions energy: -127.499
where: short stacking energy: -59.760
Base-Backbone interact. energy: -0.002
local terms energy: -48.256883
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -5.022
flat angles C4'-P-C4' energy: -8.490
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -16.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -161.681040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.681040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.681040 (E_RNA)
where:
Base-Base interactions energy: -112.051
where: short stacking energy: -41.258
Base-Backbone interact. energy: -0.083
local terms energy: -49.547307
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -7.700
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -61.156511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.156511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.156511 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -27.729
Base-Backbone interact. energy: 1.263
local terms energy: -26.422858
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -9.943
flat angles C4'-P-C4' energy: -3.212
flat angles P-C4'-P energy: -1.752
tors. eta vs tors. theta energy: -0.661
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: 10
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -191.663828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.663828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.663828 (E_RNA)
where:
Base-Base interactions energy: -130.058
where: short stacking energy: -62.719
Base-Backbone interact. energy: -0.000
local terms energy: -61.605504
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -15.987
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: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -190.492170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.492170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.492170 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.117
local terms energy: -60.917307
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -190.499390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.499390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.499390 (E_RNA)
where:
Base-Base interactions energy: -132.063
where: short stacking energy: -59.391
Base-Backbone interact. energy: -0.009
local terms energy: -58.427473
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -182.552782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.552782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.552782 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.063
local terms energy: -55.316914
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -12.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -184.158993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.158993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.158993 (E_RNA)
where:
Base-Base interactions energy: -124.434
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.177
local terms energy: -59.547709
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.232
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: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -169.949771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.949771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.949771 (E_RNA)
where:
Base-Base interactions energy: -119.590
where: short stacking energy: -54.715
Base-Backbone interact. energy: -0.001
local terms energy: -50.359034
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -11.014
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: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -178.462039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.462039 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.022
local terms energy: -56.725186
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -175.103627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.103627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.103627 (E_RNA)
where:
Base-Base interactions energy: -120.323
where: short stacking energy: -52.449
Base-Backbone interact. energy: -0.078
local terms energy: -54.702660
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -172.653932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.653932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.653932 (E_RNA)
where:
Base-Base interactions energy: -119.510
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.005
local terms energy: -53.139276
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -65.870306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.870306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.870306 (E_RNA)
where:
Base-Base interactions energy: -21.979
where: short stacking energy: -21.223
Base-Backbone interact. energy: 0.396
local terms energy: -44.287058
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -191.505475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505475 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.024
local terms energy: -58.338519
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -10.927
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -183.435692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.435692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.435692 (E_RNA)
where:
Base-Base interactions energy: -123.776
where: short stacking energy: -56.721
Base-Backbone interact. energy: -0.004
local terms energy: -59.655326
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -14.002
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: 6
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -188.253640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.253640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.253640 (E_RNA)
where:
Base-Base interactions energy: -130.984
where: short stacking energy: -59.138
Base-Backbone interact. energy: 0.886
local terms energy: -58.155469
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -10.891
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -15.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -182.601552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.601552 (E_RNA)
where:
Base-Base interactions energy: -126.063
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.002
local terms energy: -56.535930
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -11.243
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -12.885
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: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -180.520156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.520156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520156 (E_RNA)
where:
Base-Base interactions energy: -119.249
where: short stacking energy: -54.945
Base-Backbone interact. energy: -0.004
local terms energy: -61.267075
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -8.624
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: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -181.241363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.241363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.241363 (E_RNA)
where:
Base-Base interactions energy: -123.605
where: short stacking energy: -52.048
Base-Backbone interact. energy: 2.513
local terms energy: -60.148761
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -12.839
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: 206
Temperature: 1.200000
Total energy: -176.228414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.228414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.228414 (E_RNA)
where:
Base-Base interactions energy: -124.625
where: short stacking energy: -51.555
Base-Backbone interact. energy: -0.078
local terms energy: -51.525477
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -174.012651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.012651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.012651 (E_RNA)
where:
Base-Base interactions energy: -118.912
where: short stacking energy: -52.623
Base-Backbone interact. energy: -0.720
local terms energy: -54.380551
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -152.904864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.904864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.904864 (E_RNA)
where:
Base-Base interactions energy: -109.074
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.052
local terms energy: -43.779827
where:
bonds (distance) C4'-P energy: -6.992
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -7.889
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -9.657
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: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -60.478587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.478587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.478587 (E_RNA)
where:
Base-Base interactions energy: -22.844
where: short stacking energy: -21.610
Base-Backbone interact. energy: 0.317
local terms energy: -37.952351
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -192.165582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.165582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.165582 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.236
local terms energy: -60.210947
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -15.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -195.678910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.678910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.678910 (E_RNA)
where:
Base-Base interactions energy: -131.729
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.003
local terms energy: -63.946825
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -182.878948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.878948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.878948 (E_RNA)
where:
Base-Base interactions energy: -126.949
where: short stacking energy: -59.379
Base-Backbone interact. energy: -0.049
local terms energy: -55.880461
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -11.042
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -13.510
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: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -185.425433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.425433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.425433 (E_RNA)
where:
Base-Base interactions energy: -126.816
where: short stacking energy: -58.008
Base-Backbone interact. energy: -0.015
local terms energy: -58.594816
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -8.819
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -177.450951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.450951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.450951 (E_RNA)
where:
Base-Base interactions energy: -125.537
where: short stacking energy: -52.929
Base-Backbone interact. energy: -0.006
local terms energy: -51.907535
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -11.111
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: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -182.380049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.380049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.380049 (E_RNA)
where:
Base-Base interactions energy: -127.728
where: short stacking energy: -50.537
Base-Backbone interact. energy: -0.231
local terms energy: -54.420727
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -12.562
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: 7, replica: 9
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -173.946768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.946768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.946768 (E_RNA)
where:
Base-Base interactions energy: -120.698
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.019
local terms energy: -53.229038
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -15.002
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: 8, replica: 2
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -173.729685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.729685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.729685 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.007
local terms energy: -56.528284
where:
bonds (distance) C4'-P energy: -8.603
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -167.507833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.507833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.507833 (E_RNA)
where:
Base-Base interactions energy: -116.322
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.000
local terms energy: -51.186038
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -12.508
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: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -74.144533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.144533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.144533 (E_RNA)
where:
Base-Base interactions energy: -34.876
where: short stacking energy: -22.393
Base-Backbone interact. energy: -0.034
local terms energy: -39.234488
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -6.940
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -192.229115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.229115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.229115 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -58.882
Base-Backbone interact. energy: -0.013
local terms energy: -62.308830
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -16.142
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: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -187.121250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.121250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.121250 (E_RNA)
where:
Base-Base interactions energy: -130.295
where: short stacking energy: -55.390
Base-Backbone interact. energy: -0.092
local terms energy: -56.733304
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -173.335250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.335250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.335250 (E_RNA)
where:
Base-Base interactions energy: -121.266
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.146
local terms energy: -51.923200
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -9.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -182.090269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.090269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.090269 (E_RNA)
where:
Base-Base interactions energy: -127.284
where: short stacking energy: -59.906
Base-Backbone interact. energy: 0.324
local terms energy: -55.130702
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -9.816
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -178.169158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.169158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.169158 (E_RNA)
where:
Base-Base interactions energy: -133.164
where: short stacking energy: -55.827
Base-Backbone interact. energy: 0.229
local terms energy: -45.234168
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -7.847
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -12.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -176.454905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.454905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.454905 (E_RNA)
where:
Base-Base interactions energy: -124.514
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.136
local terms energy: -51.804409
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -173.332926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.332926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.332926 (E_RNA)
where:
Base-Base interactions energy: -117.787
where: short stacking energy: -51.104
Base-Backbone interact. energy: -0.004
local terms energy: -55.542457
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -13.994
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: 208
Temperature: 1.250000
Total energy: -173.215180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.215180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.215180 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -57.947
Base-Backbone interact. energy: -0.018
local terms energy: -50.976922
where:
bonds (distance) C4'-P energy: -3.802
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.208
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -169.121086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.121086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.121086 (E_RNA)
where:
Base-Base interactions energy: -121.756
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.049
local terms energy: -47.315803
where:
bonds (distance) C4'-P energy: -6.452
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -8.933
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -13.646
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: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -66.740390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.740390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.740390 (E_RNA)
where:
Base-Base interactions energy: -31.731
where: short stacking energy: -31.731
Base-Backbone interact. energy: -0.014
local terms energy: -34.995356
where:
bonds (distance) C4'-P energy: -7.266
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -4.101
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: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -194.769692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.769692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.769692 (E_RNA)
where:
Base-Base interactions energy: -132.066
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.350
local terms energy: -62.353610
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -9.535
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -183.666437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.666437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.666437 (E_RNA)
where:
Base-Base interactions energy: -123.434
where: short stacking energy: -55.974
Base-Backbone interact. energy: -0.031
local terms energy: -60.201210
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -187.678145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.678145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.678145 (E_RNA)
where:
Base-Base interactions energy: -129.366
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.002
local terms energy: -58.309936
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -9.539
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -16.693
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: 209
Temperature: 1.050000
Total energy: -180.010443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.010443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.010443 (E_RNA)
where:
Base-Base interactions energy: -129.837
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.014
local terms energy: -50.159394
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -11.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -176.456055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.456055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.456055 (E_RNA)
where:
Base-Base interactions energy: -124.393
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.103
local terms energy: -51.959958
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -10.388
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -13.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -171.949872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.949872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.949872 (E_RNA)
where:
Base-Base interactions energy: -114.176
where: short stacking energy: -44.697
Base-Backbone interact. energy: -0.003
local terms energy: -57.770702
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -12.144
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: 209
Temperature: 1.200000
Total energy: -179.686489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.686489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.686489 (E_RNA)
where:
Base-Base interactions energy: -124.681
where: short stacking energy: -45.848
Base-Backbone interact. energy: -0.214
local terms energy: -54.790680
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -177.276087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.276087 (E_RNA)
where:
Base-Base interactions energy: -114.559
where: short stacking energy: -48.374
Base-Backbone interact. energy: -0.000
local terms energy: -62.716927
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -165.719362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.719362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.719362 (E_RNA)
where:
Base-Base interactions energy: -118.157
where: short stacking energy: -49.345
Base-Backbone interact. energy: 0.250
local terms energy: -47.812906
where:
bonds (distance) C4'-P energy: -7.706
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -10.646
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: 10, replica: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -79.013234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013234 (E_RNA)
where:
Base-Base interactions energy: -44.049
where: short stacking energy: -21.658
Base-Backbone interact. energy: 0.478
local terms energy: -35.442990
where:
bonds (distance) C4'-P energy: -7.438
bonds (distance) P-C4' energy: -6.816
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -5.351
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -190.319318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.319318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.319318 (E_RNA)
where:
Base-Base interactions energy: -128.478
where: short stacking energy: -60.287
Base-Backbone interact. energy: -0.010
local terms energy: -61.830700
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -16.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -188.206211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.206211 (E_RNA)
where:
Base-Base interactions energy: -125.140
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.086
local terms energy: -62.979546
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -181.592871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.592871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.592871 (E_RNA)
where:
Base-Base interactions energy: -126.574
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.092
local terms energy: -54.927061
where:
bonds (distance) C4'-P energy: -6.665
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -12.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -190.141325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.141325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.141325 (E_RNA)
where:
Base-Base interactions energy: -129.267
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.002
local terms energy: -60.872172
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -184.678170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678170 (E_RNA)
where:
Base-Base interactions energy: -127.527
where: short stacking energy: -59.524
Base-Backbone interact. energy: -0.018
local terms energy: -57.132548
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -173.538685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.538685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.538685 (E_RNA)
where:
Base-Base interactions energy: -123.522
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.097
local terms energy: -49.920307
where:
bonds (distance) C4'-P energy: -3.841
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -175.041363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.041363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.041363 (E_RNA)
where:
Base-Base interactions energy: -121.033
where: short stacking energy: -55.208
Base-Backbone interact. energy: -0.000
local terms energy: -54.008212
where:
bonds (distance) C4'-P energy: -5.895
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -4.390
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -165.336162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.336162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.336162 (E_RNA)
where:
Base-Base interactions energy: -112.332
where: short stacking energy: -47.211
Base-Backbone interact. energy: -0.035
local terms energy: -52.969333
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -11.854
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -157.802530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.802530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.802530 (E_RNA)
where:
Base-Base interactions energy: -111.047
where: short stacking energy: -44.085
Base-Backbone interact. energy: -0.105
local terms energy: -46.650061
where:
bonds (distance) C4'-P energy: -7.178
bonds (distance) P-C4' energy: -7.599
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -106.783480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.783480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.783480 (E_RNA)
where:
Base-Base interactions energy: -66.356
where: short stacking energy: -30.771
Base-Backbone interact. energy: -0.114
local terms energy: -40.313222
where:
bonds (distance) C4'-P energy: -6.525
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.772
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -193.333675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.333675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.333675 (E_RNA)
where:
Base-Base interactions energy: -129.361
where: short stacking energy: -64.089
Base-Backbone interact. energy: -0.049
local terms energy: -63.923658
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -184.569354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.569354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.569354 (E_RNA)
where:
Base-Base interactions energy: -123.122
where: short stacking energy: -56.800
Base-Backbone interact. energy: -0.000
local terms energy: -61.447607
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -13.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -190.774079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.774079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.774079 (E_RNA)
where:
Base-Base interactions energy: -126.673
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.006
local terms energy: -64.095303
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -15.921
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: 2
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -184.045455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.045455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.045455 (E_RNA)
where:
Base-Base interactions energy: -126.679
where: short stacking energy: -52.529
Base-Backbone interact. energy: -0.245
local terms energy: -57.121596
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -13.219
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: 1
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -183.230621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.230621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.230621 (E_RNA)
where:
Base-Base interactions energy: -123.828
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.007
local terms energy: -59.395692
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -13.609
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: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -186.270762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.270762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.270762 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.038
local terms energy: -53.711505
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -162.043303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.043303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.043303 (E_RNA)
where:
Base-Base interactions energy: -112.446
where: short stacking energy: -46.029
Base-Backbone interact. energy: -0.088
local terms energy: -49.509278
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -10.470
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -177.572747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.572747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.572747 (E_RNA)
where:
Base-Base interactions energy: -121.697
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.071
local terms energy: -55.804740
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -7.172
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -171.942188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.942188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.942188 (E_RNA)
where:
Base-Base interactions energy: -120.747
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.029
local terms energy: -51.166817
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -8.542
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -11.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -72.778862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.778862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.778862 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -26.715
Base-Backbone interact. energy: -0.081
local terms energy: -42.552382
where:
bonds (distance) C4'-P energy: -10.854
bonds (distance) P-C4' energy: -5.970
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: -5.260
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: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -194.740250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.740250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.740250 (E_RNA)
where:
Base-Base interactions energy: -131.721
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.000
local terms energy: -63.018796
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -12.621
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: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -195.851046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.851046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.851046 (E_RNA)
where:
Base-Base interactions energy: -129.753
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.040
local terms energy: -66.057955
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -16.465
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: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -181.386200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.386200 (E_RNA)
where:
Base-Base interactions energy: -123.544
where: short stacking energy: -56.062
Base-Backbone interact. energy: -0.073
local terms energy: -57.769301
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -187.371007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.371007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.371007 (E_RNA)
where:
Base-Base interactions energy: -124.394
where: short stacking energy: -56.977
Base-Backbone interact. energy: -0.000
local terms energy: -62.976815
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -183.592164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.592164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.592164 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.007
local terms energy: -56.257919
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -8.966
flat angles C4'-P-C4' energy: -9.933
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.279
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: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -170.069408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.069408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.069408 (E_RNA)
where:
Base-Base interactions energy: -114.812
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.098
local terms energy: -55.159564
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -171.367749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.367749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.367749 (E_RNA)
where:
Base-Base interactions energy: -119.066
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.001
local terms energy: -52.301173
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -170.470499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.470499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.470499 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.081
local terms energy: -49.342365
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -6.597
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -168.304737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.304737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.304737 (E_RNA)
where:
Base-Base interactions energy: -113.385
where: short stacking energy: -56.784
Base-Backbone interact. energy: -0.007
local terms energy: -54.913247
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -15.940
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: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -61.831565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.831565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.831565 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.217
local terms energy: -30.321029
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -7.521
flat angles P-C4'-P energy: -3.027
tors. eta vs tors. theta energy: 1.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -192.029694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.029694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.029694 (E_RNA)
where:
Base-Base interactions energy: -130.481
where: short stacking energy: -58.161
Base-Backbone interact. energy: 0.492
local terms energy: -62.040332
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -190.147778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.147778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.147778 (E_RNA)
where:
Base-Base interactions energy: -130.278
where: short stacking energy: -59.714
Base-Backbone interact. energy: -0.000
local terms energy: -59.869992
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.354
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: 3, replica: 6
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -183.055098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.055098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.055098 (E_RNA)
where:
Base-Base interactions energy: -128.484
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.011
local terms energy: -54.559943
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -186.729889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.729889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.729889 (E_RNA)
where:
Base-Base interactions energy: -128.525
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.001
local terms energy: -58.204095
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -187.175783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.175783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.175783 (E_RNA)
where:
Base-Base interactions energy: -128.503
where: short stacking energy: -59.148
Base-Backbone interact. energy: -0.001
local terms energy: -58.672117
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -172.583823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.583823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.583823 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -59.005
Base-Backbone interact. energy: -0.050
local terms energy: -54.000381
where:
bonds (distance) C4'-P energy: -9.668
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -11.278
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: 213
Temperature: 1.200000
Total energy: -168.287821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.287821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.287821 (E_RNA)
where:
Base-Base interactions energy: -119.753
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.087
local terms energy: -48.448710
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -9.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -170.701499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.701499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.701499 (E_RNA)
where:
Base-Base interactions energy: -124.202
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.110
local terms energy: -46.389340
where:
bonds (distance) C4'-P energy: -7.287
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -167.730314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.730314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.730314 (E_RNA)
where:
Base-Base interactions energy: -112.217
where: short stacking energy: -47.251
Base-Backbone interact. energy: -0.684
local terms energy: -54.829055
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -9.263
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -15.451
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: 213
Temperature: 1.350000
Total energy: -61.493592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.493592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.493592 (E_RNA)
where:
Base-Base interactions energy: -31.480
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.023
local terms energy: -29.990519
where:
bonds (distance) C4'-P energy: -6.169
bonds (distance) P-C4' energy: -6.706
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -193.398616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.398616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.398616 (E_RNA)
where:
Base-Base interactions energy: -132.876
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.012
local terms energy: -60.509843
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -11.316
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -11.589
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -188.361183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.361183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.361183 (E_RNA)
where:
Base-Base interactions energy: -127.046
where: short stacking energy: -57.545
Base-Backbone interact. energy: -0.004
local terms energy: -61.311318
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -14.348
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: 3, replica: 1
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -183.593008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.593008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.593008 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.024
local terms energy: -57.036644
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -11.041
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -185.375459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.375459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.375459 (E_RNA)
where:
Base-Base interactions energy: -128.182
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.000
local terms energy: -57.192642
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -15.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -183.655249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.655249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.655249 (E_RNA)
where:
Base-Base interactions energy: -126.878
where: short stacking energy: -58.390
Base-Backbone interact. energy: -0.000
local terms energy: -56.776918
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -9.200
flat angles C4'-P-C4' energy: -11.031
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -14.796
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: 6, replica: 9
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -178.333785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.333785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.333785 (E_RNA)
where:
Base-Base interactions energy: -120.470
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.077
local terms energy: -57.786880
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -12.068
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -166.769635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.769635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.769635 (E_RNA)
where:
Base-Base interactions energy: -117.583
where: short stacking energy: -47.474
Base-Backbone interact. energy: -0.495
local terms energy: -48.691549
where:
bonds (distance) C4'-P energy: -4.500
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -14.654
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -173.080046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.080046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.080046 (E_RNA)
where:
Base-Base interactions energy: -121.581
where: short stacking energy: -49.154
Base-Backbone interact. energy: -0.008
local terms energy: -51.490726
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -9.932
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: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -159.435597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.435597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.435597 (E_RNA)
where:
Base-Base interactions energy: -111.725
where: short stacking energy: -46.985
Base-Backbone interact. energy: -0.374
local terms energy: -47.335823
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -9.870
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: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -65.447140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.447140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.447140 (E_RNA)
where:
Base-Base interactions energy: -28.644
where: short stacking energy: -28.644
Base-Backbone interact. energy: -0.098
local terms energy: -36.704706
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -8.414
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -0.432
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: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -193.516058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.516058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.516058 (E_RNA)
where:
Base-Base interactions energy: -129.322
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.004
local terms energy: -64.189947
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -17.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -190.897573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897573 (E_RNA)
where:
Base-Base interactions energy: -130.910
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.002
local terms energy: -59.985353
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -190.555363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.555363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.555363 (E_RNA)
where:
Base-Base interactions energy: -133.757
where: short stacking energy: -62.486
Base-Backbone interact. energy: -0.046
local terms energy: -56.752044
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -8.590
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -184.329833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.329833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.329833 (E_RNA)
where:
Base-Base interactions energy: -124.178
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.295
local terms energy: -59.856984
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -176.289641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.289641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.289641 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -52.802
Base-Backbone interact. energy: -0.002
local terms energy: -58.422847
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -5.339
tors. eta vs tors. theta energy: -14.711
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: 215
Temperature: 1.150000
Total energy: -178.693419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.693419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.693419 (E_RNA)
where:
Base-Base interactions energy: -122.700
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.207
local terms energy: -55.786127
where:
bonds (distance) C4'-P energy: -10.477
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -11.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -157.786268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.786268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.786268 (E_RNA)
where:
Base-Base interactions energy: -115.623
where: short stacking energy: -45.081
Base-Backbone interact. energy: -0.076
local terms energy: -42.087414
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -7.013
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -3.292
tors. eta vs tors. theta energy: -9.658
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: 215
Temperature: 1.250000
Total energy: -165.313323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.313323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.313323 (E_RNA)
where:
Base-Base interactions energy: -117.684
where: short stacking energy: -51.998
Base-Backbone interact. energy: -0.001
local terms energy: -47.628858
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -8.212
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -168.506110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.506110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.506110 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.007
local terms energy: -52.868274
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -6.691
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -6.343
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: 215
Temperature: 1.350000
Total energy: -76.125957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.125957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.125957 (E_RNA)
where:
Base-Base interactions energy: -46.803
where: short stacking energy: -15.587
Base-Backbone interact. energy: -1.002
local terms energy: -28.321803
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -8.768
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -190.685737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.685737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.685737 (E_RNA)
where:
Base-Base interactions energy: -132.082
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.005
local terms energy: -58.598568
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -192.279662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.279662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.279662 (E_RNA)
where:
Base-Base interactions energy: -131.443
where: short stacking energy: -62.882
Base-Backbone interact. energy: -0.059
local terms energy: -60.777428
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -16.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -189.417697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.417697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.417697 (E_RNA)
where:
Base-Base interactions energy: -123.157
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.020
local terms energy: -66.241066
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.706
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -186.467746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.467746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.467746 (E_RNA)
where:
Base-Base interactions energy: -131.959
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.279
local terms energy: -54.229652
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.466
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -179.195275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.195275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.195275 (E_RNA)
where:
Base-Base interactions energy: -126.873
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.003
local terms energy: -52.319457
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -14.171
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: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -174.258702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.258702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.258702 (E_RNA)
where:
Base-Base interactions energy: -126.332
where: short stacking energy: -53.735
Base-Backbone interact. energy: -0.212
local terms energy: -47.715210
where:
bonds (distance) C4'-P energy: -7.006
bonds (distance) P-C4' energy: -8.706
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -9.521
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -175.726074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.726074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.726074 (E_RNA)
where:
Base-Base interactions energy: -116.340
where: short stacking energy: -47.941
Base-Backbone interact. energy: -0.006
local terms energy: -59.379571
where:
bonds (distance) C4'-P energy: -10.958
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -168.068400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.068400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.068400 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -45.371
Base-Backbone interact. energy: -0.160
local terms energy: -55.602907
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -159.619603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.619603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.619603 (E_RNA)
where:
Base-Base interactions energy: -109.983
where: short stacking energy: -43.396
Base-Backbone interact. energy: -0.728
local terms energy: -48.909020
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.267
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -8.405
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: 216
Temperature: 1.350000
Total energy: -67.681798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.681798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.681798 (E_RNA)
where:
Base-Base interactions energy: -35.892
where: short stacking energy: -14.406
Base-Backbone interact. energy: -0.222
local terms energy: -31.568008
where:
bonds (distance) C4'-P energy: -8.657
bonds (distance) P-C4' energy: -6.699
flat angles C4'-P-C4' energy: -10.409
flat angles P-C4'-P energy: -5.165
tors. eta vs tors. theta energy: -0.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -192.961721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.961721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.961721 (E_RNA)
where:
Base-Base interactions energy: -128.681
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.012
local terms energy: -64.269265
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -185.562840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.562840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.562840 (E_RNA)
where:
Base-Base interactions energy: -123.742
where: short stacking energy: -53.911
Base-Backbone interact. energy: -0.000
local terms energy: -61.820907
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -187.945175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.945175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.945175 (E_RNA)
where:
Base-Base interactions energy: -126.792
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.579
local terms energy: -60.574521
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -185.685513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.685513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.685513 (E_RNA)
where:
Base-Base interactions energy: -132.200
where: short stacking energy: -52.230
Base-Backbone interact. energy: -0.020
local terms energy: -53.465731
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -182.423704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.423704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.423704 (E_RNA)
where:
Base-Base interactions energy: -124.263
where: short stacking energy: -56.993
Base-Backbone interact. energy: -0.292
local terms energy: -57.868887
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -181.119356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.119356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.119356 (E_RNA)
where:
Base-Base interactions energy: -122.745
where: short stacking energy: -52.291
Base-Backbone interact. energy: -0.187
local terms energy: -58.187345
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -16.655
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: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -175.955997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.955997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.955997 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -58.782
Base-Backbone interact. energy: -0.032
local terms energy: -52.338969
where:
bonds (distance) C4'-P energy: -10.210
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -176.478434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.478434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.478434 (E_RNA)
where:
Base-Base interactions energy: -121.206
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.037
local terms energy: -55.235361
where:
bonds (distance) C4'-P energy: -5.872
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -12.230
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: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -103.949877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.949877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.949877 (E_RNA)
where:
Base-Base interactions energy: -59.792
where: short stacking energy: -24.196
Base-Backbone interact. energy: -0.579
local terms energy: -43.578894
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -1.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -75.050645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.050645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.050645 (E_RNA)
where:
Base-Base interactions energy: -28.119
where: short stacking energy: -26.819
Base-Backbone interact. energy: -0.003
local terms energy: -46.929037
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -9.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -192.455638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.455638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.455638 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -65.084
Base-Backbone interact. energy: 2.522
local terms energy: -58.753934
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -11.699
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -188.843358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.843358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.843358 (E_RNA)
where:
Base-Base interactions energy: -129.138
where: short stacking energy: -60.475
Base-Backbone interact. energy: -0.002
local terms energy: -59.703579
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -183.879794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.879794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.879794 (E_RNA)
where:
Base-Base interactions energy: -125.285
where: short stacking energy: -57.628
Base-Backbone interact. energy: -0.042
local terms energy: -58.553097
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -187.512500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.512500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.512500 (E_RNA)
where:
Base-Base interactions energy: -123.524
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.000
local terms energy: -63.988430
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -17.435
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: 218
Temperature: 1.100000
Total energy: -187.652795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.652795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.652795 (E_RNA)
where:
Base-Base interactions energy: -125.834
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.011
local terms energy: -61.808106
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -174.820262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.820262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.820262 (E_RNA)
where:
Base-Base interactions energy: -125.602
where: short stacking energy: -51.701
Base-Backbone interact. energy: -0.000
local terms energy: -49.218152
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -6.422
tors. eta vs tors. theta energy: -12.603
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: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -177.316642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.316642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.316642 (E_RNA)
where:
Base-Base interactions energy: -124.981
where: short stacking energy: -53.947
Base-Backbone interact. energy: 0.587
local terms energy: -52.922582
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -13.874
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: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -171.668661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.668661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.668661 (E_RNA)
where:
Base-Base interactions energy: -112.421
where: short stacking energy: -50.160
Base-Backbone interact. energy: -1.784
local terms energy: -57.463014
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -70.531738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.531738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.531738 (E_RNA)
where:
Base-Base interactions energy: -29.135
where: short stacking energy: -29.135
Base-Backbone interact. energy: -0.016
local terms energy: -41.380644
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -4.391
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -7.799
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: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -150.806106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.806106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.806106 (E_RNA)
where:
Base-Base interactions energy: -101.113
where: short stacking energy: -48.213
Base-Backbone interact. energy: -0.077
local terms energy: -49.616617
where:
bonds (distance) C4'-P energy: -8.466
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -10.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -188.268878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.268878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.268878 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -60.632
Base-Backbone interact. energy: -0.041
local terms energy: -60.602431
where:
bonds (distance) C4'-P energy: -12.536
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -187.873718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.873718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.873718 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -58.005
Base-Backbone interact. energy: -0.000
local terms energy: -60.333246
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -8.237
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -15.707
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: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -188.620597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.620597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.620597 (E_RNA)
where:
Base-Base interactions energy: -127.131
where: short stacking energy: -61.539
Base-Backbone interact. energy: -0.001
local terms energy: -61.489446
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -183.719132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.719132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.719132 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.016
local terms energy: -55.426494
where:
bonds (distance) C4'-P energy: -6.633
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -15.123
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: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -182.924140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.924140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.924140 (E_RNA)
where:
Base-Base interactions energy: -127.076
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.003
local terms energy: -55.845386
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -14.213
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: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -182.155520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.155520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.155520 (E_RNA)
where:
Base-Base interactions energy: -122.120
where: short stacking energy: -56.949
Base-Backbone interact. energy: -0.003
local terms energy: -60.031910
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -172.794648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.794648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.794648 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.001
local terms energy: -46.783607
where:
bonds (distance) C4'-P energy: -7.075
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -14.342
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: 219
Temperature: 1.250000
Total energy: -170.809456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.809456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.809456 (E_RNA)
where:
Base-Base interactions energy: -119.367
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.004
local terms energy: -51.437570
where:
bonds (distance) C4'-P energy: -9.083
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -79.259040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.259040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.259040 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -26.623
Base-Backbone interact. energy: -0.130
local terms energy: -44.190078
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -2.996
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: 10, replica: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -161.632204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.632204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.632204 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -50.161
Base-Backbone interact. energy: -0.015
local terms energy: -47.133864
where:
bonds (distance) C4'-P energy: -6.563
bonds (distance) P-C4' energy: -9.742
flat angles C4'-P-C4' energy: -10.085
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -11.547
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: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -191.523812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.523812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.523812 (E_RNA)
where:
Base-Base interactions energy: -132.393
where: short stacking energy: -65.174
Base-Backbone interact. energy: -0.010
local terms energy: -59.121298
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -194.073956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.073956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.073956 (E_RNA)
where:
Base-Base interactions energy: -141.917
where: short stacking energy: -53.990
Base-Backbone interact. energy: -0.062
local terms energy: -52.094027
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -8.213
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -10.760
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: 220
Temperature: 1.000000
Total energy: -180.956705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956705 (E_RNA)
where:
Base-Base interactions energy: -127.888
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.000
local terms energy: -53.068509
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -9.369
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -14.009
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -178.174580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.174580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.174580 (E_RNA)
where:
Base-Base interactions energy: -124.023
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.876
local terms energy: -53.275632
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -10.396
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: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -180.239125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.239125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.239125 (E_RNA)
where:
Base-Base interactions energy: -124.702
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.003
local terms energy: -55.533646
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -14.589
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: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -173.074276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.074276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.074276 (E_RNA)
where:
Base-Base interactions energy: -120.120
where: short stacking energy: -51.383
Base-Backbone interact. energy: -0.028
local terms energy: -52.926544
where:
bonds (distance) C4'-P energy: -11.692
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -175.542065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.542065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.542065 (E_RNA)
where:
Base-Base interactions energy: -118.584
where: short stacking energy: -56.797
Base-Backbone interact. energy: -0.061
local terms energy: -56.897518
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -161.569017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.569017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.569017 (E_RNA)
where:
Base-Base interactions energy: -114.911
where: short stacking energy: -43.965
Base-Backbone interact. energy: -0.735
local terms energy: -45.923143
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -9.396
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -164.226602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.226602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.226602 (E_RNA)
where:
Base-Base interactions energy: -122.378
where: short stacking energy: -49.973
Base-Backbone interact. energy: -0.020
local terms energy: -41.828069
where:
bonds (distance) C4'-P energy: -5.427
bonds (distance) P-C4' energy: -8.578
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -66.291083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.291083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.291083 (E_RNA)
where:
Base-Base interactions energy: -31.794
where: short stacking energy: -21.019
Base-Backbone interact. energy: -0.199
local terms energy: -34.297982
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -10.733
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -5.707
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: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -194.906918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.906918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.906918 (E_RNA)
where:
Base-Base interactions energy: -130.190
where: short stacking energy: -59.877
Base-Backbone interact. energy: -0.017
local terms energy: -64.700128
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -199.314482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.314482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.314482 (E_RNA)
where:
Base-Base interactions energy: -146.489
where: short stacking energy: -58.929
Base-Backbone interact. energy: -0.108
local terms energy: -52.718215
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -8.913
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -176.288162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.288162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.288162 (E_RNA)
where:
Base-Base interactions energy: -123.522
where: short stacking energy: -54.792
Base-Backbone interact. energy: -0.090
local terms energy: -52.675528
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -176.256545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.256545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.256545 (E_RNA)
where:
Base-Base interactions energy: -121.810
where: short stacking energy: -48.139
Base-Backbone interact. energy: -0.754
local terms energy: -53.692695
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -190.122585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.122585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.122585 (E_RNA)
where:
Base-Base interactions energy: -133.138
where: short stacking energy: -58.729
Base-Backbone interact. energy: 0.639
local terms energy: -57.623591
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -175.094956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.094956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.094956 (E_RNA)
where:
Base-Base interactions energy: -122.827
where: short stacking energy: -57.826
Base-Backbone interact. energy: 0.246
local terms energy: -52.513668
where:
bonds (distance) C4'-P energy: -5.022
bonds (distance) P-C4' energy: -9.159
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -172.283618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.283618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.283618 (E_RNA)
where:
Base-Base interactions energy: -116.090
where: short stacking energy: -51.610
Base-Backbone interact. energy: 0.516
local terms energy: -56.709753
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -10.932
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: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -171.158060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.158060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.158060 (E_RNA)
where:
Base-Base interactions energy: -122.420
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.135
local terms energy: -48.603860
where:
bonds (distance) C4'-P energy: -0.091
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -160.723524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.723524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.723524 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -46.936
Base-Backbone interact. energy: -0.098
local terms energy: -45.314913
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -6.840
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -74.438972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.438972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.438972 (E_RNA)
where:
Base-Base interactions energy: -31.441
where: short stacking energy: -30.257
Base-Backbone interact. energy: -0.009
local terms energy: -42.988644
where:
bonds (distance) C4'-P energy: -6.487
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -199.501582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501582 (E_RNA)
where:
Base-Base interactions energy: -142.653
where: short stacking energy: -55.500
Base-Backbone interact. energy: -0.013
local terms energy: -56.836098
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -195.948659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.948659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.948659 (E_RNA)
where:
Base-Base interactions energy: -133.634
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.003
local terms energy: -62.312027
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -16.837
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: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -186.679123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.679123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.679123 (E_RNA)
where:
Base-Base interactions energy: -124.361
where: short stacking energy: -58.358
Base-Backbone interact. energy: -0.009
local terms energy: -62.309015
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -7.862
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: 4, replica: 6
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -179.567756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.567756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.567756 (E_RNA)
where:
Base-Base interactions energy: -120.857
where: short stacking energy: -52.794
Base-Backbone interact. energy: 0.020
local terms energy: -58.730939
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -12.123
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: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -178.244525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.244525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.244525 (E_RNA)
where:
Base-Base interactions energy: -122.435
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.002
local terms energy: -55.807403
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -10.542
flat angles C4'-P-C4' energy: -10.661
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -183.589250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.589250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.589250 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -54.132
Base-Backbone interact. energy: -0.000
local terms energy: -57.278117
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -7.125
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -185.856523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.856523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.856523 (E_RNA)
where:
Base-Base interactions energy: -129.122
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.000
local terms energy: -56.734372
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -13.703
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: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -171.713124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.713124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.713124 (E_RNA)
where:
Base-Base interactions energy: -123.895
where: short stacking energy: -55.544
Base-Backbone interact. energy: -0.030
local terms energy: -47.787816
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -8.951
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -12.224
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: 5
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -161.397837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.397837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.397837 (E_RNA)
where:
Base-Base interactions energy: -113.872
where: short stacking energy: -50.368
Base-Backbone interact. energy: 0.536
local terms energy: -48.062671
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -8.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -61.631003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.631003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.631003 (E_RNA)
where:
Base-Base interactions energy: -22.721
where: short stacking energy: -16.604
Base-Backbone interact. energy: -0.187
local terms energy: -38.722989
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: 0.387
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: 1, replica: 1
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -202.434140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.434140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.434140 (E_RNA)
where:
Base-Base interactions energy: -148.763
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.085
local terms energy: -53.586050
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -11.182
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -187.368364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.368364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.368364 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -60.457
Base-Backbone interact. energy: 0.251
local terms energy: -60.024218
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -14.537
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: 3, replica: 9
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -188.590433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.590433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.590433 (E_RNA)
where:
Base-Base interactions energy: -128.967
where: short stacking energy: -56.935
Base-Backbone interact. energy: -0.000
local terms energy: -59.622973
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -16.480
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -184.871393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.871393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.871393 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.002
local terms energy: -59.951444
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -189.589089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.589089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.589089 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.016
local terms energy: -63.443445
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -182.793368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.793368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.793368 (E_RNA)
where:
Base-Base interactions energy: -121.991
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.001
local terms energy: -60.801562
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -167.815186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.815186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.815186 (E_RNA)
where:
Base-Base interactions energy: -114.556
where: short stacking energy: -50.797
Base-Backbone interact. energy: -0.033
local terms energy: -53.225866
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -11.821
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: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -170.215055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.215055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.215055 (E_RNA)
where:
Base-Base interactions energy: -122.224
where: short stacking energy: -51.125
Base-Backbone interact. energy: -0.891
local terms energy: -47.100387
where:
bonds (distance) C4'-P energy: -7.216
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: -11.479
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: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -162.955361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.955361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.955361 (E_RNA)
where:
Base-Base interactions energy: -106.647
where: short stacking energy: -44.968
Base-Backbone interact. energy: -0.086
local terms energy: -56.222667
where:
bonds (distance) C4'-P energy: -7.655
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -7.579
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: 10, replica: 4
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -78.124277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.124277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.124277 (E_RNA)
where:
Base-Base interactions energy: -34.519
where: short stacking energy: -34.519
Base-Backbone interact. energy: -0.131
local terms energy: -43.474370
where:
bonds (distance) C4'-P energy: -8.048
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -6.539
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -190.469614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.469614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.469614 (E_RNA)
where:
Base-Base interactions energy: -130.894
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.092
local terms energy: -59.484366
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -13.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -195.014592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.014592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.014592 (E_RNA)
where:
Base-Base interactions energy: -138.454
where: short stacking energy: -56.855
Base-Backbone interact. energy: 0.169
local terms energy: -56.729782
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -189.277557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.277557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.277557 (E_RNA)
where:
Base-Base interactions energy: -134.580
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.041
local terms energy: -54.656305
where:
bonds (distance) C4'-P energy: -7.911
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -192.014491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.014491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.014491 (E_RNA)
where:
Base-Base interactions energy: -127.928
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.001
local terms energy: -64.085852
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -10.473
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -16.953
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: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -189.011505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011505 (E_RNA)
where:
Base-Base interactions energy: -128.330
where: short stacking energy: -59.083
Base-Backbone interact. energy: -0.007
local terms energy: -60.674302
where:
bonds (distance) C4'-P energy: -7.117
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -17.589
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: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -180.919387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.919387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.919387 (E_RNA)
where:
Base-Base interactions energy: -115.763
where: short stacking energy: -50.720
Base-Backbone interact. energy: -0.001
local terms energy: -65.154919
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -169.301307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.301307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.301307 (E_RNA)
where:
Base-Base interactions energy: -113.349
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.683
local terms energy: -55.268941
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -10.215
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -171.855822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.855822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.855822 (E_RNA)
where:
Base-Base interactions energy: -120.870
where: short stacking energy: -55.568
Base-Backbone interact. energy: -0.019
local terms energy: -50.966321
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: -11.029
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: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -159.418813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.418813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.418813 (E_RNA)
where:
Base-Base interactions energy: -108.178
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.067
local terms energy: -51.174319
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -9.184
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -62.706213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.706213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.706213 (E_RNA)
where:
Base-Base interactions energy: -27.283
where: short stacking energy: -27.283
Base-Backbone interact. energy: -0.069
local terms energy: -35.353729
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -1.385
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -192.380535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.380535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.380535 (E_RNA)
where:
Base-Base interactions energy: -132.110
where: short stacking energy: -60.289
Base-Backbone interact. energy: -0.001
local terms energy: -60.269525
where:
bonds (distance) C4'-P energy: -11.373
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.544
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: 9
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -186.138298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.138298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.138298 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -62.307
Base-Backbone interact. energy: 0.085
local terms energy: -54.590279
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -193.201675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.201675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.201675 (E_RNA)
where:
Base-Base interactions energy: -137.909
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.021
local terms energy: -55.271751
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -8.843
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -11.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -180.857429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.857429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.857429 (E_RNA)
where:
Base-Base interactions energy: -127.169
where: short stacking energy: -56.232
Base-Backbone interact. energy: -0.002
local terms energy: -53.686150
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -181.348684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.348684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.348684 (E_RNA)
where:
Base-Base interactions energy: -123.723
where: short stacking energy: -53.445
Base-Backbone interact. energy: -0.417
local terms energy: -57.208234
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -7.830
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -176.957510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.957510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.957510 (E_RNA)
where:
Base-Base interactions energy: -122.217
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.454
local terms energy: -54.286959
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -172.519813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.519813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.519813 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.307
local terms energy: -52.997173
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -180.321105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.321105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.321105 (E_RNA)
where:
Base-Base interactions energy: -124.181
where: short stacking energy: -51.383
Base-Backbone interact. energy: -0.135
local terms energy: -56.005410
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -173.475861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.475861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.475861 (E_RNA)
where:
Base-Base interactions energy: -115.259
where: short stacking energy: -52.001
Base-Backbone interact. energy: -0.006
local terms energy: -58.210851
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -15.973
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: 225
Temperature: 1.350000
Total energy: -70.888320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.888320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.888320 (E_RNA)
where:
Base-Base interactions energy: -28.850
where: short stacking energy: -28.850
Base-Backbone interact. energy: 3.163
local terms energy: -45.201144
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -4.357
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: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -195.537913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.537913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.537913 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.001
local terms energy: -59.313604
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -191.525275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.525275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.525275 (E_RNA)
where:
Base-Base interactions energy: -131.848
where: short stacking energy: -59.430
Base-Backbone interact. energy: -0.000
local terms energy: -59.677584
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -16.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -190.526766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.526766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.526766 (E_RNA)
where:
Base-Base interactions energy: -127.880
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.000
local terms energy: -62.646165
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -12.522
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -184.445835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.445835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.445835 (E_RNA)
where:
Base-Base interactions energy: -123.109
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.194
local terms energy: -61.143003
where:
bonds (distance) C4'-P energy: -12.092
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -15.480
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: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -184.235152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.235152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.235152 (E_RNA)
where:
Base-Base interactions energy: -133.023
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.056
local terms energy: -51.156427
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -6.421
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: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -177.554581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.554581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.554581 (E_RNA)
where:
Base-Base interactions energy: -115.797
where: short stacking energy: -55.302
Base-Backbone interact. energy: -0.000
local terms energy: -61.757343
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -177.474567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.474567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.474567 (E_RNA)
where:
Base-Base interactions energy: -127.126
where: short stacking energy: -48.878
Base-Backbone interact. energy: 0.329
local terms energy: -50.677660
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -7.746
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -13.416
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: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -175.947177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.947177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.947177 (E_RNA)
where:
Base-Base interactions energy: -120.052
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.003
local terms energy: -55.892616
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -160.043433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.043433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.043433 (E_RNA)
where:
Base-Base interactions energy: -119.187
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.042
local terms energy: -40.815171
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -7.387
flat angles P-C4'-P energy: -3.319
tors. eta vs tors. theta energy: -7.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -66.503020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.503020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.503020 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -30.705
Base-Backbone interact. energy: -0.829
local terms energy: -26.922753
where:
bonds (distance) C4'-P energy: -4.872
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: 0.272
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -3.749
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: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -195.479013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.479013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.479013 (E_RNA)
where:
Base-Base interactions energy: -131.170
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.011
local terms energy: -64.298014
where:
bonds (distance) C4'-P energy: -10.718
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -188.162668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.162668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.162668 (E_RNA)
where:
Base-Base interactions energy: -127.646
where: short stacking energy: -55.865
Base-Backbone interact. energy: -0.034
local terms energy: -60.483484
where:
bonds (distance) C4'-P energy: -10.167
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -189.015241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.015241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.015241 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -59.189
Base-Backbone interact. energy: -0.001
local terms energy: -54.727851
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -8.952
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -188.603623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.603623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.603623 (E_RNA)
where:
Base-Base interactions energy: -128.359
where: short stacking energy: -60.663
Base-Backbone interact. energy: -0.280
local terms energy: -59.965284
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -14.815
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -188.064776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.064776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.064776 (E_RNA)
where:
Base-Base interactions energy: -136.574
where: short stacking energy: -56.536
Base-Backbone interact. energy: 0.327
local terms energy: -51.817400
where:
bonds (distance) C4'-P energy: -6.683
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -14.369
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: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -178.748070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.748070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.748070 (E_RNA)
where:
Base-Base interactions energy: -123.484
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.041
local terms energy: -55.223350
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -10.073
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -12.642
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: 7, replica: 10
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -166.968796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.968796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.968796 (E_RNA)
where:
Base-Base interactions energy: -107.388
where: short stacking energy: -45.653
Base-Backbone interact. energy: -0.026
local terms energy: -59.554513
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -12.766
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: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -175.691335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.691335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.691335 (E_RNA)
where:
Base-Base interactions energy: -126.145
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.000
local terms energy: -49.545890
where:
bonds (distance) C4'-P energy: -7.411
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -11.638
flat angles P-C4'-P energy: -4.465
tors. eta vs tors. theta energy: -13.448
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: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -170.964288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.964288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.964288 (E_RNA)
where:
Base-Base interactions energy: -118.374
where: short stacking energy: -54.393
Base-Backbone interact. energy: -0.197
local terms energy: -52.392446
where:
bonds (distance) C4'-P energy: -7.784
bonds (distance) P-C4' energy: -11.145
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -70.566045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.566045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.566045 (E_RNA)
where:
Base-Base interactions energy: -31.924
where: short stacking energy: -31.857
Base-Backbone interact. energy: -0.100
local terms energy: -38.542155
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -7.908
flat angles C4'-P-C4' energy: -9.795
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -7.662
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: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -192.496745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496745 (E_RNA)
where:
Base-Base interactions energy: -131.334
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.009
local terms energy: -61.153262
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -189.660327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.660327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.660327 (E_RNA)
where:
Base-Base interactions energy: -133.833
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.009
local terms energy: -55.818274
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -186.958619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.958619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.958619 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.033
local terms energy: -60.633915
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -14.675
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: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -189.203607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.203607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.203607 (E_RNA)
where:
Base-Base interactions energy: -130.955
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.215
local terms energy: -58.033101
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -168.805045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.805045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.805045 (E_RNA)
where:
Base-Base interactions energy: -113.684
where: short stacking energy: -49.100
Base-Backbone interact. energy: -0.593
local terms energy: -54.527933
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -182.200174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.200174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.200174 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -60.309
Base-Backbone interact. energy: -0.000
local terms energy: -50.873648
where:
bonds (distance) C4'-P energy: -5.829
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -179.385267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385267 (E_RNA)
where:
Base-Base interactions energy: -128.045
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.207
local terms energy: -51.133242
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -8.670
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -171.912596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.912596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.912596 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.002
local terms energy: -49.557360
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -9.009
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.976
tors. eta vs tors. theta energy: -13.092
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: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -167.019828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019828 (E_RNA)
where:
Base-Base interactions energy: -115.107
where: short stacking energy: -50.695
Base-Backbone interact. energy: -0.181
local terms energy: -51.731738
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -9.828
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -65.185363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.185363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.185363 (E_RNA)
where:
Base-Base interactions energy: -21.788
where: short stacking energy: -19.629
Base-Backbone interact. energy: -0.510
local terms energy: -42.887209
where:
bonds (distance) C4'-P energy: -8.121
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -192.942597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.942597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.942597 (E_RNA)
where:
Base-Base interactions energy: -131.922
where: short stacking energy: -60.152
Base-Backbone interact. energy: -0.010
local terms energy: -61.010928
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -189.780568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.780568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.780568 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.761
local terms energy: -60.136629
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -15.973
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: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -185.972037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972037 (E_RNA)
where:
Base-Base interactions energy: -122.469
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.000
local terms energy: -63.502150
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -15.291
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: 6
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -186.574534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574534 (E_RNA)
where:
Base-Base interactions energy: -133.275
where: short stacking energy: -52.613
Base-Backbone interact. energy: 0.140
local terms energy: -53.439053
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -184.041691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.041691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.041691 (E_RNA)
where:
Base-Base interactions energy: -126.905
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.010
local terms energy: -57.127373
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -14.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -186.553194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.553194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.553194 (E_RNA)
where:
Base-Base interactions energy: -134.327
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.786
local terms energy: -51.440139
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -10.747
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: 7, replica: 8
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -178.530940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530940 (E_RNA)
where:
Base-Base interactions energy: -120.821
where: short stacking energy: -50.612
Base-Backbone interact. energy: -0.000
local terms energy: -57.709991
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -170.195195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.195195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.195195 (E_RNA)
where:
Base-Base interactions energy: -121.468
where: short stacking energy: -50.253
Base-Backbone interact. energy: -0.114
local terms energy: -48.612349
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -6.382
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -9.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -163.565250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.565250 (E_RNA)
where:
Base-Base interactions energy: -110.249
where: short stacking energy: -51.318
Base-Backbone interact. energy: -0.079
local terms energy: -53.236934
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -16.111
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: 229
Temperature: 1.350000
Total energy: -58.236443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.236443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.236443 (E_RNA)
where:
Base-Base interactions energy: -22.276
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.106
local terms energy: -35.854907
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -8.697
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -195.393269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393269 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.000
local terms energy: -62.016313
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -192.961392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.961392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.961392 (E_RNA)
where:
Base-Base interactions energy: -130.724
where: short stacking energy: -60.115
Base-Backbone interact. energy: -0.002
local terms energy: -62.235031
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -190.568872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.568872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.568872 (E_RNA)
where:
Base-Base interactions energy: -129.908
where: short stacking energy: -50.585
Base-Backbone interact. energy: -0.707
local terms energy: -59.953333
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -11.508
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: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -190.398490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.398490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.398490 (E_RNA)
where:
Base-Base interactions energy: -128.379
where: short stacking energy: -59.053
Base-Backbone interact. energy: -0.242
local terms energy: -61.777579
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -16.695
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: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -186.112774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.112774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.112774 (E_RNA)
where:
Base-Base interactions energy: -128.559
where: short stacking energy: -59.594
Base-Backbone interact. energy: -0.089
local terms energy: -57.465242
where:
bonds (distance) C4'-P energy: -9.415
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -5.666
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -177.129448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.129448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.129448 (E_RNA)
where:
Base-Base interactions energy: -126.751
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.011
local terms energy: -50.367520
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -7.057
flat angles C4'-P-C4' energy: -9.916
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -173.951624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.951624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.951624 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.002
local terms energy: -52.554745
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -168.809478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.809478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.809478 (E_RNA)
where:
Base-Base interactions energy: -116.772
where: short stacking energy: -50.419
Base-Backbone interact. energy: -0.363
local terms energy: -51.674404
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -8.630
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: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -166.383352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.383352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.383352 (E_RNA)
where:
Base-Base interactions energy: -118.619
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.077
local terms energy: -47.687765
where:
bonds (distance) C4'-P energy: -6.885
bonds (distance) P-C4' energy: -7.447
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -12.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -77.053730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.053730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.053730 (E_RNA)
where:
Base-Base interactions energy: -35.922
where: short stacking energy: -35.922
Base-Backbone interact. energy: -0.424
local terms energy: -40.707565
where:
bonds (distance) C4'-P energy: -6.106
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -198.427269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427269 (E_RNA)
where:
Base-Base interactions energy: -134.841
where: short stacking energy: -61.934
Base-Backbone interact. energy: -0.292
local terms energy: -63.293988
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -193.832539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.832539 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.011
local terms energy: -58.133868
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -188.509464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.509464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509464 (E_RNA)
where:
Base-Base interactions energy: -135.544
where: short stacking energy: -52.088
Base-Backbone interact. energy: -0.617
local terms energy: -52.348954
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -185.520953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.520953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.520953 (E_RNA)
where:
Base-Base interactions energy: -126.203
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.003
local terms energy: -59.314863
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -14.286
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: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -182.683654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.683654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.683654 (E_RNA)
where:
Base-Base interactions energy: -125.704
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.176
local terms energy: -56.803935
where:
bonds (distance) C4'-P energy: -9.463
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -14.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -182.386806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.386806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386806 (E_RNA)
where:
Base-Base interactions energy: -127.228
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.001
local terms energy: -55.158118
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -180.819056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.819056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.819056 (E_RNA)
where:
Base-Base interactions energy: -124.474
where: short stacking energy: -53.694
Base-Backbone interact. energy: -0.024
local terms energy: -56.321393
where:
bonds (distance) C4'-P energy: -8.689
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -164.287300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.287300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.287300 (E_RNA)
where:
Base-Base interactions energy: -113.171
where: short stacking energy: -47.767
Base-Backbone interact. energy: -0.011
local terms energy: -51.105302
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -178.901203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.901203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.901203 (E_RNA)
where:
Base-Base interactions energy: -121.399
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.001
local terms energy: -57.500904
where:
bonds (distance) C4'-P energy: -8.218
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -15.220
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: 4
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -71.563185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.563185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.563185 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -20.636
Base-Backbone interact. energy: -0.071
local terms energy: -35.258470
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -8.858
flat angles P-C4'-P energy: -0.893
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -195.603487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.603487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.603487 (E_RNA)
where:
Base-Base interactions energy: -134.106
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.002
local terms energy: -61.496379
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -184.368290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.368290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.368290 (E_RNA)
where:
Base-Base interactions energy: -126.835
where: short stacking energy: -59.184
Base-Backbone interact. energy: -0.001
local terms energy: -57.532018
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -11.450
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -14.950
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: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -188.468405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.468405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468405 (E_RNA)
where:
Base-Base interactions energy: -129.136
where: short stacking energy: -51.756
Base-Backbone interact. energy: -0.036
local terms energy: -59.296180
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -185.685307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.685307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.685307 (E_RNA)
where:
Base-Base interactions energy: -133.890
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.771
local terms energy: -51.024317
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -9.388
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -12.792
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: 9
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -178.959983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.959983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.959983 (E_RNA)
where:
Base-Base interactions energy: -131.178
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.004
local terms energy: -47.778089
where:
bonds (distance) C4'-P energy: -7.506
bonds (distance) P-C4' energy: -4.792
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -169.561930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.561930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.561930 (E_RNA)
where:
Base-Base interactions energy: -116.181
where: short stacking energy: -44.598
Base-Backbone interact. energy: 0.204
local terms energy: -53.585285
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -12.586
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: 232
Temperature: 1.200000
Total energy: -162.148168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.148168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.148168 (E_RNA)
where:
Base-Base interactions energy: -108.259
where: short stacking energy: -40.788
Base-Backbone interact. energy: -0.133
local terms energy: -53.756623
where:
bonds (distance) C4'-P energy: -8.861
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -170.022936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.022936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.022936 (E_RNA)
where:
Base-Base interactions energy: -116.446
where: short stacking energy: -50.110
Base-Backbone interact. energy: -0.002
local terms energy: -53.574595
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -168.536353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.536353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.536353 (E_RNA)
where:
Base-Base interactions energy: -113.700
where: short stacking energy: -48.415
Base-Backbone interact. energy: -0.159
local terms energy: -54.677404
where:
bonds (distance) C4'-P energy: -5.981
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -61.280015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.280015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.280015 (E_RNA)
where:
Base-Base interactions energy: -17.534
where: short stacking energy: -15.598
Base-Backbone interact. energy: -0.085
local terms energy: -43.661013
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -7.099
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -193.673752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.673752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.673752 (E_RNA)
where:
Base-Base interactions energy: -132.368
where: short stacking energy: -60.481
Base-Backbone interact. energy: -0.014
local terms energy: -61.291530
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -15.493
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: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -188.988380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.988380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.988380 (E_RNA)
where:
Base-Base interactions energy: -134.297
where: short stacking energy: -51.278
Base-Backbone interact. energy: -0.085
local terms energy: -54.606043
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -9.550
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: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -194.689582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.689582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.689582 (E_RNA)
where:
Base-Base interactions energy: -133.477
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.041
local terms energy: -61.171905
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: -9.050
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: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -178.158886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.158886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.158886 (E_RNA)
where:
Base-Base interactions energy: -121.751
where: short stacking energy: -54.852
Base-Backbone interact. energy: -0.587
local terms energy: -55.820826
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -178.512361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.512361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.512361 (E_RNA)
where:
Base-Base interactions energy: -126.711
where: short stacking energy: -49.589
Base-Backbone interact. energy: -1.051
local terms energy: -50.749967
where:
bonds (distance) C4'-P energy: -8.325
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -8.621
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: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -179.482091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.482091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.482091 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -48.349
Base-Backbone interact. energy: -0.001
local terms energy: -55.697321
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -14.067
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: 233
Temperature: 1.200000
Total energy: -170.388195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.388195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.388195 (E_RNA)
where:
Base-Base interactions energy: -114.825
where: short stacking energy: -52.829
Base-Backbone interact. energy: -0.002
local terms energy: -55.561625
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -171.596223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.596223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.596223 (E_RNA)
where:
Base-Base interactions energy: -111.297
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.005
local terms energy: -60.294439
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -15.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -167.589789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.589789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.589789 (E_RNA)
where:
Base-Base interactions energy: -122.993
where: short stacking energy: -48.918
Base-Backbone interact. energy: -0.902
local terms energy: -43.694475
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -7.946
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -65.639893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.639893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.639893 (E_RNA)
where:
Base-Base interactions energy: -32.659
where: short stacking energy: -26.016
Base-Backbone interact. energy: -0.152
local terms energy: -32.828810
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -3.853
flat angles P-C4'-P energy: -2.239
tors. eta vs tors. theta energy: -5.096
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: 10
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -195.558331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.558331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.558331 (E_RNA)
where:
Base-Base interactions energy: -139.117
where: short stacking energy: -54.182
Base-Backbone interact. energy: -0.622
local terms energy: -55.818791
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -11.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -191.600035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.600035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.600035 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.162
local terms energy: -58.442770
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -17.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -190.967073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.967073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.967073 (E_RNA)
where:
Base-Base interactions energy: -128.232
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.053
local terms energy: -62.681881
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -16.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -189.024335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.024335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.024335 (E_RNA)
where:
Base-Base interactions energy: -131.903
where: short stacking energy: -61.144
Base-Backbone interact. energy: -0.239
local terms energy: -56.882413
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -14.998
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: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -181.713215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713215 (E_RNA)
where:
Base-Base interactions energy: -120.129
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.006
local terms energy: -61.578905
where:
bonds (distance) C4'-P energy: -12.225
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.401
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: 6
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -166.325996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.325996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.325996 (E_RNA)
where:
Base-Base interactions energy: -122.756
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.083
local terms energy: -43.487283
where:
bonds (distance) C4'-P energy: -7.464
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -9.271
flat angles P-C4'-P energy: -4.183
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -175.166018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.166018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.166018 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -44.556
Base-Backbone interact. energy: -0.012
local terms energy: -60.320928
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -12.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -172.899132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.899132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.899132 (E_RNA)
where:
Base-Base interactions energy: -121.143
where: short stacking energy: -48.096
Base-Backbone interact. energy: -0.079
local terms energy: -51.676826
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -8.673
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: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -166.690972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.690972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.690972 (E_RNA)
where:
Base-Base interactions energy: -118.343
where: short stacking energy: -48.256
Base-Backbone interact. energy: -0.028
local terms energy: -48.320400
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -10.761
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: 234
Temperature: 1.350000
Total energy: -60.882801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.882801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.882801 (E_RNA)
where:
Base-Base interactions energy: -20.799
where: short stacking energy: -20.799
Base-Backbone interact. energy: -0.159
local terms energy: -39.924393
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -9.139
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: 0.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -186.951187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.951187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.951187 (E_RNA)
where:
Base-Base interactions energy: -132.859
where: short stacking energy: -51.417
Base-Backbone interact. energy: -0.448
local terms energy: -53.643879
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -190.862621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.862621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.862621 (E_RNA)
where:
Base-Base interactions energy: -132.354
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.001
local terms energy: -58.507717
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -9.625
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -186.194483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.194483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.194483 (E_RNA)
where:
Base-Base interactions energy: -131.306
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.002
local terms energy: -54.886597
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -186.382280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.382280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.382280 (E_RNA)
where:
Base-Base interactions energy: -130.830
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.067
local terms energy: -55.485725
where:
bonds (distance) C4'-P energy: -8.548
bonds (distance) P-C4' energy: -11.988
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -173.138702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.138702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.138702 (E_RNA)
where:
Base-Base interactions energy: -121.277
where: short stacking energy: -48.346
Base-Backbone interact. energy: -0.039
local terms energy: -51.823201
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -6.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -168.804108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.804108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.804108 (E_RNA)
where:
Base-Base interactions energy: -117.375
where: short stacking energy: -49.263
Base-Backbone interact. energy: -0.117
local terms energy: -51.311812
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -8.963
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -166.168086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168086 (E_RNA)
where:
Base-Base interactions energy: -117.597
where: short stacking energy: -46.882
Base-Backbone interact. energy: -0.033
local terms energy: -48.537359
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -9.720
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -10.379
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: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -166.287610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.287610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.287610 (E_RNA)
where:
Base-Base interactions energy: -114.993
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.006
local terms energy: -51.288824
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -10.635
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -9.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -173.143475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.143475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.143475 (E_RNA)
where:
Base-Base interactions energy: -115.254
where: short stacking energy: -51.580
Base-Backbone interact. energy: -0.655
local terms energy: -57.234255
where:
bonds (distance) C4'-P energy: -9.107
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -6.182
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -57.742339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.742339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.742339 (E_RNA)
where:
Base-Base interactions energy: -23.648
where: short stacking energy: -22.749
Base-Backbone interact. energy: -0.093
local terms energy: -34.001583
where:
bonds (distance) C4'-P energy: -6.773
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: 1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -195.564607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.564607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.564607 (E_RNA)
where:
Base-Base interactions energy: -131.966
where: short stacking energy: -63.772
Base-Backbone interact. energy: -0.001
local terms energy: -63.597681
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -187.854401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.854401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.854401 (E_RNA)
where:
Base-Base interactions energy: -130.793
where: short stacking energy: -50.794
Base-Backbone interact. energy: -0.028
local terms energy: -57.033579
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -10.467
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: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -188.240957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.240957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.240957 (E_RNA)
where:
Base-Base interactions energy: -130.574
where: short stacking energy: -59.331
Base-Backbone interact. energy: -0.004
local terms energy: -57.662144
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -13.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -184.690537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.690537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.690537 (E_RNA)
where:
Base-Base interactions energy: -127.231
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.005
local terms energy: -57.454459
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -181.261797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.261797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.261797 (E_RNA)
where:
Base-Base interactions energy: -122.538
where: short stacking energy: -50.826
Base-Backbone interact. energy: -0.027
local terms energy: -58.696812
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -12.890
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -180.100030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.100030 (E_RNA)
where:
Base-Base interactions energy: -121.702
where: short stacking energy: -47.257
Base-Backbone interact. energy: -0.107
local terms energy: -58.290516
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -14.502
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: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -181.616899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.616899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.616899 (E_RNA)
where:
Base-Base interactions energy: -127.345
where: short stacking energy: -53.609
Base-Backbone interact. energy: -0.099
local terms energy: -54.173774
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -10.695
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -180.605002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.605002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.605002 (E_RNA)
where:
Base-Base interactions energy: -120.979
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.002
local terms energy: -59.624320
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -165.899160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.899160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.899160 (E_RNA)
where:
Base-Base interactions energy: -114.869
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.078
local terms energy: -50.952416
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -7.059
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -82.641510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.641510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.641510 (E_RNA)
where:
Base-Base interactions energy: -44.185
where: short stacking energy: -18.798
Base-Backbone interact. energy: -0.207
local terms energy: -38.249490
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: 0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -198.093135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.093135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.093135 (E_RNA)
where:
Base-Base interactions energy: -130.848
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.291
local terms energy: -66.953993
where:
bonds (distance) C4'-P energy: -13.282
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -18.014
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: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -190.759630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.759630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.759630 (E_RNA)
where:
Base-Base interactions energy: -130.117
where: short stacking energy: -61.415
Base-Backbone interact. energy: -0.004
local terms energy: -60.638016
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -175.265607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.265607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.265607 (E_RNA)
where:
Base-Base interactions energy: -120.755
where: short stacking energy: -46.368
Base-Backbone interact. energy: -0.072
local terms energy: -54.439312
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -186.234506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.234506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.234506 (E_RNA)
where:
Base-Base interactions energy: -126.928
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.041
local terms energy: -59.264985
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -8.820
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -179.236464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.236464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.236464 (E_RNA)
where:
Base-Base interactions energy: -121.644
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.008
local terms energy: -57.584085
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -12.807
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -174.331362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.331362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.331362 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -53.512
Base-Backbone interact. energy: -0.063
local terms energy: -48.909459
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -8.936
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -11.846
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: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -164.761178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.761178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.761178 (E_RNA)
where:
Base-Base interactions energy: -118.231
where: short stacking energy: -49.310
Base-Backbone interact. energy: -0.074
local terms energy: -46.456265
where:
bonds (distance) C4'-P energy: -5.892
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -12.981
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: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -166.508770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.508770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.508770 (E_RNA)
where:
Base-Base interactions energy: -117.824
where: short stacking energy: -53.720
Base-Backbone interact. energy: -0.006
local terms energy: -48.678882
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -4.756
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -159.369195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.369195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.369195 (E_RNA)
where:
Base-Base interactions energy: -109.198
where: short stacking energy: -47.482
Base-Backbone interact. energy: -0.097
local terms energy: -50.074308
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -4.921
flat angles C4'-P-C4' energy: -7.983
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -15.906
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -149.477109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.477109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.477109 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.010
local terms energy: -50.158593
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -195.572188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.572188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.572188 (E_RNA)
where:
Base-Base interactions energy: -133.119
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.002
local terms energy: -62.451445
where:
bonds (distance) C4'-P energy: -10.962
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -190.975497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975497 (E_RNA)
where:
Base-Base interactions energy: -135.942
where: short stacking energy: -59.544
Base-Backbone interact. energy: -0.498
local terms energy: -54.535361
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -14.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -187.109670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.109670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.109670 (E_RNA)
where:
Base-Base interactions energy: -131.870
where: short stacking energy: -52.915
Base-Backbone interact. energy: -0.036
local terms energy: -55.203592
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -175.697999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.697999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.697999 (E_RNA)
where:
Base-Base interactions energy: -115.245
where: short stacking energy: -48.230
Base-Backbone interact. energy: -0.009
local terms energy: -60.443154
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -13.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -178.858128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.858128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.858128 (E_RNA)
where:
Base-Base interactions energy: -129.591
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.030
local terms energy: -49.236333
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -11.564
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: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -173.179056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.179056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.179056 (E_RNA)
where:
Base-Base interactions energy: -116.483
where: short stacking energy: -50.784
Base-Backbone interact. energy: -0.000
local terms energy: -56.696075
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -11.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -168.743234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.743234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.743234 (E_RNA)
where:
Base-Base interactions energy: -115.409
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.073
local terms energy: -53.260520
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -10.730
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: 8
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -172.454557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.454557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.454557 (E_RNA)
where:
Base-Base interactions energy: -117.909
where: short stacking energy: -51.818
Base-Backbone interact. energy: -0.002
local terms energy: -54.542908
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -10.271
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -164.253519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.253519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.253519 (E_RNA)
where:
Base-Base interactions energy: -113.680
where: short stacking energy: -48.504
Base-Backbone interact. energy: -0.032
local terms energy: -50.541558
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -8.837
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -158.807013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.807013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.807013 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -46.160
Base-Backbone interact. energy: -0.157
local terms energy: -45.060830
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -194.533055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.533055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.533055 (E_RNA)
where:
Base-Base interactions energy: -130.062
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.647
local terms energy: -63.823428
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -16.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -194.399682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.399682 (E_RNA)
where:
Base-Base interactions energy: -131.185
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.473
local terms energy: -62.741506
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -191.563937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.563937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563937 (E_RNA)
where:
Base-Base interactions energy: -130.003
where: short stacking energy: -61.554
Base-Backbone interact. energy: -0.007
local terms energy: -61.553747
where:
bonds (distance) C4'-P energy: -9.521
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.493
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: 239
Temperature: 1.050000
Total energy: -183.263497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.263497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.263497 (E_RNA)
where:
Base-Base interactions energy: -122.525
where: short stacking energy: -57.078
Base-Backbone interact. energy: -0.001
local terms energy: -60.738320
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.723
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -15.933
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: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -184.634695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.634695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.634695 (E_RNA)
where:
Base-Base interactions energy: -126.208
where: short stacking energy: -58.058
Base-Backbone interact. energy: -0.670
local terms energy: -57.755863
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -175.778027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.778027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.778027 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -54.708
Base-Backbone interact. energy: -0.085
local terms energy: -51.585605
where:
bonds (distance) C4'-P energy: -5.941
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -15.358
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: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -174.858639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.858639 (E_RNA)
where:
Base-Base interactions energy: -118.880
where: short stacking energy: -53.442
Base-Backbone interact. energy: -0.001
local terms energy: -55.978111
where:
bonds (distance) C4'-P energy: -8.661
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -174.832745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.832745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.832745 (E_RNA)
where:
Base-Base interactions energy: -117.948
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.046
local terms energy: -56.838146
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -173.729851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.729851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.729851 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.000
local terms energy: -50.000726
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -8.406
flat angles P-C4'-P energy: -4.198
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -153.283203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.283203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.283203 (E_RNA)
where:
Base-Base interactions energy: -111.712
where: short stacking energy: -48.589
Base-Backbone interact. energy: -0.556
local terms energy: -41.014931
where:
bonds (distance) C4'-P energy: -2.286
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -11.784
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: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -193.336219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.336219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.336219 (E_RNA)
where:
Base-Base interactions energy: -131.637
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.090
local terms energy: -61.609255
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -11.125
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -187.303257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.303257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.303257 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -62.590
Base-Backbone interact. energy: -0.005
local terms energy: -59.434742
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -14.044
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: 240
Temperature: 1.000000
Total energy: -187.518871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.518871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.518871 (E_RNA)
where:
Base-Base interactions energy: -133.102
where: short stacking energy: -57.152
Base-Backbone interact. energy: -0.000
local terms energy: -54.416795
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -11.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -191.655932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.655932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.655932 (E_RNA)
where:
Base-Base interactions energy: -128.134
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.011
local terms energy: -63.510736
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -182.832737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.832737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.832737 (E_RNA)
where:
Base-Base interactions energy: -124.008
where: short stacking energy: -57.722
Base-Backbone interact. energy: -0.027
local terms energy: -58.797373
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -172.183043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.183043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.183043 (E_RNA)
where:
Base-Base interactions energy: -118.970
where: short stacking energy: -52.380
Base-Backbone interact. energy: -0.005
local terms energy: -53.207533
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -168.377415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.377415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.377415 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -51.220
Base-Backbone interact. energy: -0.729
local terms energy: -50.030530
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -161.054829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.054829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.054829 (E_RNA)
where:
Base-Base interactions energy: -114.799
where: short stacking energy: -41.879
Base-Backbone interact. energy: -0.649
local terms energy: -45.607663
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -6.419
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -169.054315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.054315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.054315 (E_RNA)
where:
Base-Base interactions energy: -113.661
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.015
local terms energy: -55.378158
where:
bonds (distance) C4'-P energy: -8.649
bonds (distance) P-C4' energy: -7.474
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -16.762
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: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -153.835466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.835466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.835466 (E_RNA)
where:
Base-Base interactions energy: -105.716
where: short stacking energy: -40.029
Base-Backbone interact. energy: -0.017
local terms energy: -48.102171
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -195.360549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.360549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.360549 (E_RNA)
where:
Base-Base interactions energy: -141.999
where: short stacking energy: -57.508
Base-Backbone interact. energy: 0.768
local terms energy: -54.129049
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -9.576
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -11.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -190.014818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.014818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.014818 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -58.997
Base-Backbone interact. energy: 0.193
local terms energy: -63.712171
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -15.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -192.708532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.708532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.708532 (E_RNA)
where:
Base-Base interactions energy: -130.982
where: short stacking energy: -59.051
Base-Backbone interact. energy: -0.005
local terms energy: -61.721466
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -190.527251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.527251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.527251 (E_RNA)
where:
Base-Base interactions energy: -130.693
where: short stacking energy: -59.381
Base-Backbone interact. energy: -0.004
local terms energy: -59.830952
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -10.992
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -183.049029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.049029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.049029 (E_RNA)
where:
Base-Base interactions energy: -125.316
where: short stacking energy: -57.844
Base-Backbone interact. energy: -0.010
local terms energy: -57.723128
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -6.421
tors. eta vs tors. theta energy: -15.750
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: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -183.778179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.778179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.778179 (E_RNA)
where:
Base-Base interactions energy: -126.023
where: short stacking energy: -56.950
Base-Backbone interact. energy: -0.100
local terms energy: -57.655200
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -16.143
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: 241
Temperature: 1.200000
Total energy: -169.763496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.763496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.763496 (E_RNA)
where:
Base-Base interactions energy: -116.592
where: short stacking energy: -45.607
Base-Backbone interact. energy: -0.193
local terms energy: -52.978568
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -171.212761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.212761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.212761 (E_RNA)
where:
Base-Base interactions energy: -122.344
where: short stacking energy: -44.538
Base-Backbone interact. energy: -0.446
local terms energy: -48.423207
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -9.356
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -178.457607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.457607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457607 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.024
local terms energy: -57.257557
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -7.791
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: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -165.983628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.983628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.983628 (E_RNA)
where:
Base-Base interactions energy: -127.111
where: short stacking energy: -51.308
Base-Backbone interact. energy: 0.138
local terms energy: -39.010342
where:
bonds (distance) C4'-P energy: -6.479
bonds (distance) P-C4' energy: -7.024
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -9.996
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: 242
Temperature: 0.900000
Total energy: -194.617664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.617664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.617664 (E_RNA)
where:
Base-Base interactions energy: -133.281
where: short stacking energy: -64.296
Base-Backbone interact. energy: -0.017
local terms energy: -61.320039
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -15.643
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: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -187.035836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.035836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.035836 (E_RNA)
where:
Base-Base interactions energy: -126.011
where: short stacking energy: -58.989
Base-Backbone interact. energy: -0.035
local terms energy: -60.989716
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -185.489251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.489251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.489251 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -54.414
Base-Backbone interact. energy: -0.528
local terms energy: -59.036055
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -189.539517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.539517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.539517 (E_RNA)
where:
Base-Base interactions energy: -129.104
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.030
local terms energy: -60.405775
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -179.525454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.525454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.525454 (E_RNA)
where:
Base-Base interactions energy: -125.591
where: short stacking energy: -55.515
Base-Backbone interact. energy: -0.017
local terms energy: -53.917808
where:
bonds (distance) C4'-P energy: -10.003
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -12.381
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: 6, replica: 5
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -177.708059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.708059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.708059 (E_RNA)
where:
Base-Base interactions energy: -125.824
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.294
local terms energy: -51.590377
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -9.455
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -185.750205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.750205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.750205 (E_RNA)
where:
Base-Base interactions energy: -126.207
where: short stacking energy: -61.815
Base-Backbone interact. energy: 0.068
local terms energy: -59.611487
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -171.967096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.967096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.967096 (E_RNA)
where:
Base-Base interactions energy: -123.144
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.346
local terms energy: -48.476351
where:
bonds (distance) C4'-P energy: -9.339
bonds (distance) P-C4' energy: -6.580
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -11.458
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: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -165.675849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.675849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.675849 (E_RNA)
where:
Base-Base interactions energy: -115.867
where: short stacking energy: -43.783
Base-Backbone interact. energy: -0.006
local terms energy: -49.803038
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -167.062797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.062797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.062797 (E_RNA)
where:
Base-Base interactions energy: -115.986
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.003
local terms energy: -51.073360
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -195.410976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.410976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410976 (E_RNA)
where:
Base-Base interactions energy: -131.562
where: short stacking energy: -58.415
Base-Backbone interact. energy: -0.002
local terms energy: -63.846911
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -188.631711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.631711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.631711 (E_RNA)
where:
Base-Base interactions energy: -128.718
where: short stacking energy: -59.131
Base-Backbone interact. energy: -0.000
local terms energy: -59.913409
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -10.781
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -13.984
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: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -190.638665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.638665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.638665 (E_RNA)
where:
Base-Base interactions energy: -127.540
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.009
local terms energy: -63.089690
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -16.920
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: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -186.259327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.259327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.259327 (E_RNA)
where:
Base-Base interactions energy: -126.175
where: short stacking energy: -58.707
Base-Backbone interact. energy: -0.022
local terms energy: -60.062349
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -14.322
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: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -179.320390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.320390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.320390 (E_RNA)
where:
Base-Base interactions energy: -124.151
where: short stacking energy: -55.517
Base-Backbone interact. energy: -0.019
local terms energy: -55.149766
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -12.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -180.805177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.805177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.805177 (E_RNA)
where:
Base-Base interactions energy: -123.422
where: short stacking energy: -53.964
Base-Backbone interact. energy: -0.071
local terms energy: -57.312193
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -169.686950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.686950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.686950 (E_RNA)
where:
Base-Base interactions energy: -114.973
where: short stacking energy: -48.934
Base-Backbone interact. energy: -0.084
local terms energy: -54.630005
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -9.215
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: 243
Temperature: 1.250000
Total energy: -170.920440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.920440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.920440 (E_RNA)
where:
Base-Base interactions energy: -116.547
where: short stacking energy: -46.441
Base-Backbone interact. energy: -0.004
local terms energy: -54.369999
where:
bonds (distance) C4'-P energy: -8.276
bonds (distance) P-C4' energy: -13.193
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -165.065527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.065527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.065527 (E_RNA)
where:
Base-Base interactions energy: -113.278
where: short stacking energy: -43.252
Base-Backbone interact. energy: -0.041
local terms energy: -51.747245
where:
bonds (distance) C4'-P energy: -5.333
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -12.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -168.504775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.504775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.504775 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -52.224
Base-Backbone interact. energy: -0.039
local terms energy: -51.421629
where:
bonds (distance) C4'-P energy: -7.647
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -11.226
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: 244
Temperature: 0.900000
Total energy: -195.614456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.614456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614456 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -62.251
Base-Backbone interact. energy: 0.515
local terms energy: -59.022679
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -184.726992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.726992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.726992 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -58.572
Base-Backbone interact. energy: -0.359
local terms energy: -56.447022
where:
bonds (distance) C4'-P energy: -10.930
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -193.299284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.299284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299284 (E_RNA)
where:
Base-Base interactions energy: -134.806
where: short stacking energy: -52.303
Base-Backbone interact. energy: 1.480
local terms energy: -59.973965
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -12.700
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -10.505
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: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -188.071814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.071814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.071814 (E_RNA)
where:
Base-Base interactions energy: -131.239
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.001
local terms energy: -56.831931
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -10.928
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -15.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -176.209495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.209495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.209495 (E_RNA)
where:
Base-Base interactions energy: -123.561
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.178
local terms energy: -52.470724
where:
bonds (distance) C4'-P energy: -6.677
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.461
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: 6, replica: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -175.903118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.903118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.903118 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -55.397
Base-Backbone interact. energy: -0.648
local terms energy: -53.381932
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -10.730
flat angles P-C4'-P energy: -8.423
tors. eta vs tors. theta energy: -14.464
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -169.566915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.566915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.566915 (E_RNA)
where:
Base-Base interactions energy: -120.592
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.011
local terms energy: -48.963678
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -168.705885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.705885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.705885 (E_RNA)
where:
Base-Base interactions energy: -115.803
where: short stacking energy: -50.949
Base-Backbone interact. energy: -0.100
local terms energy: -52.803379
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -11.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -169.322914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.322914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.322914 (E_RNA)
where:
Base-Base interactions energy: -117.236
where: short stacking energy: -49.409
Base-Backbone interact. energy: -0.022
local terms energy: -52.065405
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -12.361
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: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -163.040852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.040852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.040852 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -52.591
Base-Backbone interact. energy: -0.418
local terms energy: -45.277677
where:
bonds (distance) C4'-P energy: -4.754
bonds (distance) P-C4' energy: -8.688
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -14.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -194.124461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.124461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.124461 (E_RNA)
where:
Base-Base interactions energy: -129.171
where: short stacking energy: -58.472
Base-Backbone interact. energy: -0.083
local terms energy: -64.870356
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -15.793
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -192.430946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.430946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.430946 (E_RNA)
where:
Base-Base interactions energy: -139.648
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.350
local terms energy: -52.432867
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -11.526
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: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -187.744048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.744048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.744048 (E_RNA)
where:
Base-Base interactions energy: -131.991
where: short stacking energy: -57.102
Base-Backbone interact. energy: 0.540
local terms energy: -56.293792
where:
bonds (distance) C4'-P energy: -8.716
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -16.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -186.599878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.599878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.599878 (E_RNA)
where:
Base-Base interactions energy: -130.540
where: short stacking energy: -50.481
Base-Backbone interact. energy: -0.849
local terms energy: -55.210102
where:
bonds (distance) C4'-P energy: -8.586
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -175.492487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.492487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.492487 (E_RNA)
where:
Base-Base interactions energy: -124.537
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.011
local terms energy: -50.944249
where:
bonds (distance) C4'-P energy: -10.303
bonds (distance) P-C4' energy: -7.388
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -183.500022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.500022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.500022 (E_RNA)
where:
Base-Base interactions energy: -124.189
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.004
local terms energy: -59.307335
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -173.584095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.584095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.584095 (E_RNA)
where:
Base-Base interactions energy: -124.939
where: short stacking energy: -47.576
Base-Backbone interact. energy: -0.007
local terms energy: -48.638003
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -172.914345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.914345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.914345 (E_RNA)
where:
Base-Base interactions energy: -117.393
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.003
local terms energy: -55.518793
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -9.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -170.577290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.577290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.577290 (E_RNA)
where:
Base-Base interactions energy: -125.427
where: short stacking energy: -46.911
Base-Backbone interact. energy: 0.201
local terms energy: -45.351754
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -8.494
flat angles C4'-P-C4' energy: -8.561
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -12.899
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: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -152.097060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.097060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.097060 (E_RNA)
where:
Base-Base interactions energy: -105.425
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.027
local terms energy: -46.645454
where:
bonds (distance) C4'-P energy: -9.224
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -11.483
flat angles P-C4'-P energy: -5.917
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -195.967072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967072 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.446
local terms energy: -54.564001
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -11.330
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: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -191.729634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.729634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.729634 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -60.905
Base-Backbone interact. energy: -0.002
local terms energy: -58.866240
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -187.718140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.718140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.718140 (E_RNA)
where:
Base-Base interactions energy: -125.270
where: short stacking energy: -52.609
Base-Backbone interact. energy: -1.470
local terms energy: -60.978157
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -182.323239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.323239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.323239 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -59.012
Base-Backbone interact. energy: 1.606
local terms energy: -59.191663
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -15.374
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: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -182.212727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.212727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.212727 (E_RNA)
where:
Base-Base interactions energy: -123.578
where: short stacking energy: -55.947
Base-Backbone interact. energy: -0.130
local terms energy: -58.504659
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -6.954
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: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -178.040354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.040354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.040354 (E_RNA)
where:
Base-Base interactions energy: -124.833
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.001
local terms energy: -53.206518
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -8.393
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -12.280
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -174.353568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.353568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.353568 (E_RNA)
where:
Base-Base interactions energy: -124.311
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.008
local terms energy: -50.035426
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -12.746
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: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -175.443498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.443498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.443498 (E_RNA)
where:
Base-Base interactions energy: -127.746
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.114
local terms energy: -47.582756
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -9.981
flat angles P-C4'-P energy: -5.550
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -165.185664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.185664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.185664 (E_RNA)
where:
Base-Base interactions energy: -117.074
where: short stacking energy: -49.594
Base-Backbone interact. energy: -1.453
local terms energy: -46.659488
where:
bonds (distance) C4'-P energy: -6.690
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -11.443
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: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -164.244526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244526 (E_RNA)
where:
Base-Base interactions energy: -112.583
where: short stacking energy: -49.160
Base-Backbone interact. energy: -0.075
local terms energy: -51.586785
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -10.472
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: 9
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -198.674901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.674901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.674901 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -57.491
Base-Backbone interact. energy: 0.342
local terms energy: -58.587725
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -189.454089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.454089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.454089 (E_RNA)
where:
Base-Base interactions energy: -133.898
where: short stacking energy: -54.518
Base-Backbone interact. energy: -0.203
local terms energy: -55.352752
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -11.054
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: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -189.384350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.384350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.384350 (E_RNA)
where:
Base-Base interactions energy: -127.109
where: short stacking energy: -57.737
Base-Backbone interact. energy: -0.004
local terms energy: -62.271610
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -183.576455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.576455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.576455 (E_RNA)
where:
Base-Base interactions energy: -122.408
where: short stacking energy: -58.770
Base-Backbone interact. energy: -0.000
local terms energy: -61.167496
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -8.414
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: 5, replica: 2
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -179.851206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.851206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.851206 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.000
local terms energy: -52.441065
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -14.218
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: 247
Temperature: 1.150000
Total energy: -183.899606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.899606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.899606 (E_RNA)
where:
Base-Base interactions energy: -129.120
where: short stacking energy: -55.861
Base-Backbone interact. energy: -0.149
local terms energy: -54.631166
where:
bonds (distance) C4'-P energy: -8.967
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -13.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -174.141847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.141847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.141847 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -53.959
Base-Backbone interact. energy: -0.000
local terms energy: -52.653593
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -9.424
flat angles C4'-P-C4' energy: -8.625
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -16.296
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: 10
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -169.146791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.146791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.146791 (E_RNA)
where:
Base-Base interactions energy: -123.726
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.390
local terms energy: -45.031150
where:
bonds (distance) C4'-P energy: -5.729
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -163.238078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.238078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.238078 (E_RNA)
where:
Base-Base interactions energy: -114.853
where: short stacking energy: -44.672
Base-Backbone interact. energy: -0.099
local terms energy: -48.285926
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -7.149
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.538
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: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -160.471108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.471108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.471108 (E_RNA)
where:
Base-Base interactions energy: -109.174
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.216
local terms energy: -51.081477
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -11.269
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -10.849
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: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -190.031478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.031478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.031478 (E_RNA)
where:
Base-Base interactions energy: -135.971
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.010
local terms energy: -54.050839
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -189.662257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.662257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.662257 (E_RNA)
where:
Base-Base interactions energy: -132.619
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.024
local terms energy: -57.019026
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -191.487375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.487375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.487375 (E_RNA)
where:
Base-Base interactions energy: -132.468
where: short stacking energy: -60.012
Base-Backbone interact. energy: -0.000
local terms energy: -59.019560
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: -17.091
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: 4, replica: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -177.263920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.263920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263920 (E_RNA)
where:
Base-Base interactions energy: -119.668
where: short stacking energy: -48.554
Base-Backbone interact. energy: -0.098
local terms energy: -57.497693
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -11.506
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -14.668
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: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -178.292959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.292959 (E_RNA)
where:
Base-Base interactions energy: -123.195
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.000
local terms energy: -55.097300
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -183.523099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.523099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.523099 (E_RNA)
where:
Base-Base interactions energy: -123.850
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.004
local terms energy: -59.669363
where:
bonds (distance) C4'-P energy: -7.845
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -169.915837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.915837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.915837 (E_RNA)
where:
Base-Base interactions energy: -119.681
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.002
local terms energy: -50.233471
where:
bonds (distance) C4'-P energy: -7.219
bonds (distance) P-C4' energy: -12.034
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -11.842
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: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -176.265569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265569 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.123
local terms energy: -55.587625
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -5.199
tors. eta vs tors. theta energy: -15.152
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: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -166.730776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.730776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.730776 (E_RNA)
where:
Base-Base interactions energy: -111.631
where: short stacking energy: -49.941
Base-Backbone interact. energy: 1.350
local terms energy: -56.450063
where:
bonds (distance) C4'-P energy: -9.968
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -15.009
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: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -164.479545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.479545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.479545 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.041
local terms energy: -48.708117
where:
bonds (distance) C4'-P energy: -8.181
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -9.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -193.903200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.903200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.903200 (E_RNA)
where:
Base-Base interactions energy: -144.759
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.000
local terms energy: -49.143747
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -193.082884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.082884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.082884 (E_RNA)
where:
Base-Base interactions energy: -132.906
where: short stacking energy: -62.468
Base-Backbone interact. energy: -0.123
local terms energy: -60.054356
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -15.465
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: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -189.341582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.341582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.341582 (E_RNA)
where:
Base-Base interactions energy: -129.857
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.008
local terms energy: -59.476058
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -195.525366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.525366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.525366 (E_RNA)
where:
Base-Base interactions energy: -132.079
where: short stacking energy: -62.596
Base-Backbone interact. energy: -0.003
local terms energy: -63.443166
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -178.830157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.830157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.830157 (E_RNA)
where:
Base-Base interactions energy: -121.968
where: short stacking energy: -60.734
Base-Backbone interact. energy: -0.001
local terms energy: -56.861326
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -174.413122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.413122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.413122 (E_RNA)
where:
Base-Base interactions energy: -128.978
where: short stacking energy: -48.923
Base-Backbone interact. energy: -0.199
local terms energy: -45.236226
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -9.132
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -10.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -173.635485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.635485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.635485 (E_RNA)
where:
Base-Base interactions energy: -120.378
where: short stacking energy: -55.645
Base-Backbone interact. energy: -0.278
local terms energy: -52.979900
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -4.147
tors. eta vs tors. theta energy: -15.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -179.433618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.433618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.433618 (E_RNA)
where:
Base-Base interactions energy: -120.349
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.268
local terms energy: -58.816640
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -166.283852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.283852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.283852 (E_RNA)
where:
Base-Base interactions energy: -114.054
where: short stacking energy: -48.466
Base-Backbone interact. energy: -0.004
local terms energy: -52.225197
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -9.446
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -126.313803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.313803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.313803 (E_RNA)
where:
Base-Base interactions energy: -82.377
where: short stacking energy: -37.063
Base-Backbone interact. energy: -0.350
local terms energy: -43.586165
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -3.095
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -186.705836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.705836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.705836 (E_RNA)
where:
Base-Base interactions energy: -130.789
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.003
local terms energy: -55.914201
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -6.492
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.331
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: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -186.255998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.255998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.255998 (E_RNA)
where:
Base-Base interactions energy: -126.556
where: short stacking energy: -55.456
Base-Backbone interact. energy: -0.005
local terms energy: -59.695883
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -184.718689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.718689 (E_RNA)
where:
Base-Base interactions energy: -123.066
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.025
local terms energy: -61.627594
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -184.256666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.256666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.256666 (E_RNA)
where:
Base-Base interactions energy: -124.878
where: short stacking energy: -55.011
Base-Backbone interact. energy: -0.024
local terms energy: -59.354304
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -11.223
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -189.351788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.351788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.351788 (E_RNA)
where:
Base-Base interactions energy: -126.602
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.003
local terms energy: -62.745957
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -17.437
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: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -180.109887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.109887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.109887 (E_RNA)
where:
Base-Base interactions energy: -124.467
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.769
local terms energy: -54.873589
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -180.787744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.787744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.787744 (E_RNA)
where:
Base-Base interactions energy: -121.021
where: short stacking energy: -51.603
Base-Backbone interact. energy: -0.182
local terms energy: -59.584932
where:
bonds (distance) C4'-P energy: -8.399
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -174.407688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.407688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.407688 (E_RNA)
where:
Base-Base interactions energy: -120.010
where: short stacking energy: -49.012
Base-Backbone interact. energy: -0.410
local terms energy: -53.987955
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -7.093
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -159.313001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.313001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.313001 (E_RNA)
where:
Base-Base interactions energy: -116.472
where: short stacking energy: -47.022
Base-Backbone interact. energy: -0.101
local terms energy: -42.739607
where:
bonds (distance) C4'-P energy: -8.871
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -7.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -159.783308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.783308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.783308 (E_RNA)
where:
Base-Base interactions energy: -108.313
where: short stacking energy: -45.722
Base-Backbone interact. energy: -0.005
local terms energy: -51.465750
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -191.219091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.219091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.219091 (E_RNA)
where:
Base-Base interactions energy: -129.023
where: short stacking energy: -58.535
Base-Backbone interact. energy: -0.023
local terms energy: -62.172864
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -17.919
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -188.711959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.711959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.711959 (E_RNA)
where:
Base-Base interactions energy: -127.464
where: short stacking energy: -61.613
Base-Backbone interact. energy: 0.055
local terms energy: -61.302966
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -15.849
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: 251
Temperature: 1.000000
Total energy: -189.259586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.259586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.259586 (E_RNA)
where:
Base-Base interactions energy: -128.861
where: short stacking energy: -61.076
Base-Backbone interact. energy: -0.002
local terms energy: -60.396561
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -15.888
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: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -179.094100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.094100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.094100 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.433
local terms energy: -53.379862
where:
bonds (distance) C4'-P energy: -7.651
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -187.682752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.682752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.682752 (E_RNA)
where:
Base-Base interactions energy: -124.393
where: short stacking energy: -53.606
Base-Backbone interact. energy: -0.084
local terms energy: -63.206565
where:
bonds (distance) C4'-P energy: -13.662
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -183.838379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.838379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.838379 (E_RNA)
where:
Base-Base interactions energy: -125.959
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.019
local terms energy: -57.860183
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -169.657124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.657124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.657124 (E_RNA)
where:
Base-Base interactions energy: -113.589
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.101
local terms energy: -55.966727
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -12.470
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: 8, replica: 10
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -167.648947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.648947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.648947 (E_RNA)
where:
Base-Base interactions energy: -117.180
where: short stacking energy: -51.189
Base-Backbone interact. energy: -0.140
local terms energy: -50.329073
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -12.354
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: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -161.068560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.068560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.068560 (E_RNA)
where:
Base-Base interactions energy: -114.511
where: short stacking energy: -52.314
Base-Backbone interact. energy: -0.030
local terms energy: -46.527083
where:
bonds (distance) C4'-P energy: -8.301
bonds (distance) P-C4' energy: -7.378
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -176.048093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.048093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.048093 (E_RNA)
where:
Base-Base interactions energy: -118.451
where: short stacking energy: -54.400
Base-Backbone interact. energy: 0.045
local terms energy: -57.641748
where:
bonds (distance) C4'-P energy: -6.701
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -15.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -194.682564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.682564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.682564 (E_RNA)
where:
Base-Base interactions energy: -130.807
where: short stacking energy: -60.596
Base-Backbone interact. energy: -0.003
local terms energy: -63.873048
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -17.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -191.132128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.132128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.132128 (E_RNA)
where:
Base-Base interactions energy: -128.467
where: short stacking energy: -61.207
Base-Backbone interact. energy: -0.842
local terms energy: -61.823751
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -17.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -189.604801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.604801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.604801 (E_RNA)
where:
Base-Base interactions energy: -129.874
where: short stacking energy: -60.176
Base-Backbone interact. energy: -0.005
local terms energy: -59.725233
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -15.909
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: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -187.771887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.771887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.771887 (E_RNA)
where:
Base-Base interactions energy: -132.360
where: short stacking energy: -60.031
Base-Backbone interact. energy: -0.003
local terms energy: -55.408637
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -180.652136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.652136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.652136 (E_RNA)
where:
Base-Base interactions energy: -121.525
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.001
local terms energy: -59.126239
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -181.726045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.726045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.726045 (E_RNA)
where:
Base-Base interactions energy: -124.951
where: short stacking energy: -53.712
Base-Backbone interact. energy: -0.008
local terms energy: -56.767121
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -9.450
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -164.788481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.788481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.788481 (E_RNA)
where:
Base-Base interactions energy: -113.156
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.057
local terms energy: -51.576261
where:
bonds (distance) C4'-P energy: -10.370
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -11.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -176.782136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.782136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.782136 (E_RNA)
where:
Base-Base interactions energy: -122.315
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.240
local terms energy: -54.226494
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -13.650
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: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -167.085638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.085638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.085638 (E_RNA)
where:
Base-Base interactions energy: -122.480
where: short stacking energy: -56.492
Base-Backbone interact. energy: -0.003
local terms energy: -44.601788
where:
bonds (distance) C4'-P energy: -2.835
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -10.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -168.902367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.902367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.902367 (E_RNA)
where:
Base-Base interactions energy: -113.462
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.011
local terms energy: -55.429205
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -15.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -190.564258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.564258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.564258 (E_RNA)
where:
Base-Base interactions energy: -128.738
where: short stacking energy: -64.734
Base-Backbone interact. energy: -0.037
local terms energy: -61.790040
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -15.328
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: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -195.068288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068288 (E_RNA)
where:
Base-Base interactions energy: -137.024
where: short stacking energy: -62.201
Base-Backbone interact. energy: -0.001
local terms energy: -58.043033
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -188.423711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.423711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.423711 (E_RNA)
where:
Base-Base interactions energy: -129.192
where: short stacking energy: -63.849
Base-Backbone interact. energy: -0.004
local terms energy: -59.227469
where:
bonds (distance) C4'-P energy: -8.533
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -187.923375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.923375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.923375 (E_RNA)
where:
Base-Base interactions energy: -125.214
where: short stacking energy: -55.930
Base-Backbone interact. energy: -0.003
local terms energy: -62.706853
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.421
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -187.759233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.759233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.759233 (E_RNA)
where:
Base-Base interactions energy: -135.389
where: short stacking energy: -56.612
Base-Backbone interact. energy: -0.017
local terms energy: -52.353994
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -174.822784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.822784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.822784 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.006
local terms energy: -53.431376
where:
bonds (distance) C4'-P energy: -9.150
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -14.624
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: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -177.955100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.955100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.955100 (E_RNA)
where:
Base-Base interactions energy: -122.499
where: short stacking energy: -54.899
Base-Backbone interact. energy: 0.583
local terms energy: -56.039089
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -183.603920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.603920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.603920 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.659
local terms energy: -59.323248
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -159.016189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.016189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.016189 (E_RNA)
where:
Base-Base interactions energy: -107.607
where: short stacking energy: -42.989
Base-Backbone interact. energy: -0.284
local terms energy: -51.125863
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -8.613
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -10.550
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: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -173.645315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.645315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.645315 (E_RNA)
where:
Base-Base interactions energy: -120.367
where: short stacking energy: -46.408
Base-Backbone interact. energy: -0.124
local terms energy: -53.154328
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -192.860968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.860968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.860968 (E_RNA)
where:
Base-Base interactions energy: -132.104
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.001
local terms energy: -60.756490
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -15.700
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: 2, replica: 9
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -192.645099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.645099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.645099 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.009
local terms energy: -60.159359
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -189.919420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.919420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.919420 (E_RNA)
where:
Base-Base interactions energy: -130.616
where: short stacking energy: -62.309
Base-Backbone interact. energy: -0.069
local terms energy: -59.235149
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -11.242
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -13.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -184.439104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.439104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.439104 (E_RNA)
where:
Base-Base interactions energy: -127.625
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.000
local terms energy: -56.813830
where:
bonds (distance) C4'-P energy: -11.587
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -11.887
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -13.858
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: 254
Temperature: 1.100000
Total energy: -178.944419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.944419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.944419 (E_RNA)
where:
Base-Base interactions energy: -119.638
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.042
local terms energy: -59.264658
where:
bonds (distance) C4'-P energy: -8.194
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -169.142957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.142957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.142957 (E_RNA)
where:
Base-Base interactions energy: -117.520
where: short stacking energy: -43.555
Base-Backbone interact. energy: -0.340
local terms energy: -51.282766
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -172.439218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439218 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -57.416
Base-Backbone interact. energy: -0.003
local terms energy: -54.345856
where:
bonds (distance) C4'-P energy: -11.687
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -16.348
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: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -166.965174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.965174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.965174 (E_RNA)
where:
Base-Base interactions energy: -115.220
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.097
local terms energy: -51.648083
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -179.147458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.147458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.147458 (E_RNA)
where:
Base-Base interactions energy: -124.322
where: short stacking energy: -51.654
Base-Backbone interact. energy: -0.023
local terms energy: -54.802713
where:
bonds (distance) C4'-P energy: -7.474
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -13.362
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: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -163.241431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.241431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.241431 (E_RNA)
where:
Base-Base interactions energy: -116.265
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.002
local terms energy: -46.974488
where:
bonds (distance) C4'-P energy: -5.321
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -10.150
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -14.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -190.232105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.232105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.232105 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.331
local terms energy: -59.963231
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -10.712
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -186.010803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.010803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.010803 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -61.604
Base-Backbone interact. energy: -0.017
local terms energy: -55.571758
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -12.992
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: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -187.017187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.017187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.017187 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -59.199
Base-Backbone interact. energy: 0.754
local terms energy: -55.969530
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -188.217214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.217214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.217214 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.008
local terms energy: -60.816521
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -9.678
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -185.384716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.384716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.384716 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.000
local terms energy: -54.714619
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -6.729
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: 6, replica: 2
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -187.442792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.442792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.442792 (E_RNA)
where:
Base-Base interactions energy: -127.483
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.306
local terms energy: -59.653166
where:
bonds (distance) C4'-P energy: -10.014
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -14.975
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -173.041755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.041755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.041755 (E_RNA)
where:
Base-Base interactions energy: -114.079
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.005
local terms energy: -58.957759
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -175.615169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.615169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.615169 (E_RNA)
where:
Base-Base interactions energy: -122.041
where: short stacking energy: -57.319
Base-Backbone interact. energy: -0.003
local terms energy: -53.571782
where:
bonds (distance) C4'-P energy: -7.059
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -7.662
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: 9, replica: 4
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -171.764581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.764581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.764581 (E_RNA)
where:
Base-Base interactions energy: -117.647
where: short stacking energy: -46.780
Base-Backbone interact. energy: -0.672
local terms energy: -53.445517
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -167.344342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.344342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.344342 (E_RNA)
where:
Base-Base interactions energy: -115.322
where: short stacking energy: -51.233
Base-Backbone interact. energy: -0.004
local terms energy: -52.017793
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -193.839651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.839651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.839651 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.008
local terms energy: -63.136752
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -194.703775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.703775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.703775 (E_RNA)
where:
Base-Base interactions energy: -132.478
where: short stacking energy: -60.456
Base-Backbone interact. energy: -0.029
local terms energy: -62.197456
where:
bonds (distance) C4'-P energy: -9.182
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -13.960
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: 10
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -188.542436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.542436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.542436 (E_RNA)
where:
Base-Base interactions energy: -125.317
where: short stacking energy: -54.970
Base-Backbone interact. energy: -1.435
local terms energy: -61.790316
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -16.081
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: 9
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -181.107942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.107942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.107942 (E_RNA)
where:
Base-Base interactions energy: -119.932
where: short stacking energy: -55.241
Base-Backbone interact. energy: -0.001
local terms energy: -61.175293
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -14.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -181.120075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.120075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.120075 (E_RNA)
where:
Base-Base interactions energy: -123.479
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.825
local terms energy: -56.816116
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -178.695332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.695332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.695332 (E_RNA)
where:
Base-Base interactions energy: -127.560
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.001
local terms energy: -51.134343
where:
bonds (distance) C4'-P energy: -6.761
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -15.204
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: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -166.605044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.605044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.605044 (E_RNA)
where:
Base-Base interactions energy: -112.581
where: short stacking energy: -49.689
Base-Backbone interact. energy: -0.140
local terms energy: -53.884193
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -11.251
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -166.516176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.516176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.516176 (E_RNA)
where:
Base-Base interactions energy: -113.297
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.265
local terms energy: -52.954206
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -14.646
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: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -167.510167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.510167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.510167 (E_RNA)
where:
Base-Base interactions energy: -115.467
where: short stacking energy: -47.831
Base-Backbone interact. energy: -0.662
local terms energy: -51.381011
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -6.900
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -162.139026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.139026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.139026 (E_RNA)
where:
Base-Base interactions energy: -111.457
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.004
local terms energy: -50.677124
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -195.873822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.873822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.873822 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -61.226
Base-Backbone interact. energy: -0.002
local terms energy: -61.518386
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -6.334
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -189.115584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.115584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.115584 (E_RNA)
where:
Base-Base interactions energy: -124.623
where: short stacking energy: -56.771
Base-Backbone interact. energy: -0.708
local terms energy: -63.784134
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -14.415
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: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -186.483337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.483337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.483337 (E_RNA)
where:
Base-Base interactions energy: -126.335
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.000
local terms energy: -60.148350
where:
bonds (distance) C4'-P energy: -8.670
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -189.831255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.831255 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -59.185
Base-Backbone interact. energy: -0.000
local terms energy: -61.342004
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -15.691
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: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -176.379422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.379422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.379422 (E_RNA)
where:
Base-Base interactions energy: -120.173
where: short stacking energy: -53.882
Base-Backbone interact. energy: -0.001
local terms energy: -56.205944
where:
bonds (distance) C4'-P energy: -9.406
bonds (distance) P-C4' energy: -9.265
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -15.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -171.450483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.450483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.450483 (E_RNA)
where:
Base-Base interactions energy: -117.975
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.736
local terms energy: -52.740217
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -183.237183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.237183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.237183 (E_RNA)
where:
Base-Base interactions energy: -128.356
where: short stacking energy: -59.818
Base-Backbone interact. energy: -0.009
local terms energy: -54.872729
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -14.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -169.924199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.924199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.924199 (E_RNA)
where:
Base-Base interactions energy: -120.083
where: short stacking energy: -59.692
Base-Backbone interact. energy: -0.016
local terms energy: -49.825415
where:
bonds (distance) C4'-P energy: -11.145
bonds (distance) P-C4' energy: -9.547
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -13.678
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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -151.645225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.645225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.645225 (E_RNA)
where:
Base-Base interactions energy: -105.762
where: short stacking energy: -44.826
Base-Backbone interact. energy: -0.050
local terms energy: -45.833116
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -161.872032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.872032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.872032 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -44.648
Base-Backbone interact. energy: -0.002
local terms energy: -51.092471
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -11.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -190.295285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.295285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.295285 (E_RNA)
where:
Base-Base interactions energy: -129.816
where: short stacking energy: -59.153
Base-Backbone interact. energy: -0.021
local terms energy: -60.458452
where:
bonds (distance) C4'-P energy: -8.653
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -16.436
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: 258
Temperature: 0.950000
Total energy: -188.640356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.640356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.640356 (E_RNA)
where:
Base-Base interactions energy: -124.580
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.017
local terms energy: -64.043028
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -17.408
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: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -186.420506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.420506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.420506 (E_RNA)
where:
Base-Base interactions energy: -126.275
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.015
local terms energy: -60.130964
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -185.127499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.127499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.127499 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -59.228
Base-Backbone interact. energy: -0.002
local terms energy: -54.882919
where:
bonds (distance) C4'-P energy: -10.740
bonds (distance) P-C4' energy: -9.682
flat angles C4'-P-C4' energy: -9.635
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -177.068469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.068469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.068469 (E_RNA)
where:
Base-Base interactions energy: -125.348
where: short stacking energy: -58.984
Base-Backbone interact. energy: -0.047
local terms energy: -51.674040
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -8.606
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -11.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -182.338456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.338456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.338456 (E_RNA)
where:
Base-Base interactions energy: -124.256
where: short stacking energy: -56.507
Base-Backbone interact. energy: 0.031
local terms energy: -58.113128
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -14.183
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: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -183.167042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.167042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.167042 (E_RNA)
where:
Base-Base interactions energy: -127.118
where: short stacking energy: -55.318
Base-Backbone interact. energy: -0.001
local terms energy: -56.048246
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.697
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -165.372928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.372928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.372928 (E_RNA)
where:
Base-Base interactions energy: -110.529
where: short stacking energy: -47.698
Base-Backbone interact. energy: -0.008
local terms energy: -54.835581
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -149.554419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.554419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.554419 (E_RNA)
where:
Base-Base interactions energy: -108.453
where: short stacking energy: -42.914
Base-Backbone interact. energy: -0.096
local terms energy: -41.005678
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -7.666
flat angles P-C4'-P energy: -2.470
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -158.582411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.582411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.582411 (E_RNA)
where:
Base-Base interactions energy: -110.656
where: short stacking energy: -43.673
Base-Backbone interact. energy: -0.179
local terms energy: -47.747415
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -5.910
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: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -187.355262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.355262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.355262 (E_RNA)
where:
Base-Base interactions energy: -127.282
where: short stacking energy: -62.205
Base-Backbone interact. energy: -0.060
local terms energy: -60.013734
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -16.018
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: 2
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -189.402178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.402178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.402178 (E_RNA)
where:
Base-Base interactions energy: -132.267
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.054
local terms energy: -57.081585
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -12.121
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: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -186.254915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.254915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.254915 (E_RNA)
where:
Base-Base interactions energy: -126.151
where: short stacking energy: -60.779
Base-Backbone interact. energy: -0.004
local terms energy: -60.099903
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -13.598
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: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -182.132731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.132731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.132731 (E_RNA)
where:
Base-Base interactions energy: -123.957
where: short stacking energy: -55.638
Base-Backbone interact. energy: -0.001
local terms energy: -58.174650
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -14.360
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: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -182.379830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.379830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.379830 (E_RNA)
where:
Base-Base interactions energy: -124.097
where: short stacking energy: -54.598
Base-Backbone interact. energy: -0.086
local terms energy: -58.196659
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -175.453295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.453295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.453295 (E_RNA)
where:
Base-Base interactions energy: -125.041
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.000
local terms energy: -50.411685
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -7.582
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -7.711
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: 7, replica: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -178.183255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183255 (E_RNA)
where:
Base-Base interactions energy: -123.156
where: short stacking energy: -54.738
Base-Backbone interact. energy: -0.000
local terms energy: -55.027044
where:
bonds (distance) C4'-P energy: -10.136
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -8.999
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -170.012643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.012643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.012643 (E_RNA)
where:
Base-Base interactions energy: -121.591
where: short stacking energy: -50.589
Base-Backbone interact. energy: -0.291
local terms energy: -48.131122
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -7.398
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -13.038
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -173.550127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.550127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.550127 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -52.947
Base-Backbone interact. energy: -0.021
local terms energy: -57.868233
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -164.693380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.693380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.693380 (E_RNA)
where:
Base-Base interactions energy: -114.619
where: short stacking energy: -46.365
Base-Backbone interact. energy: -0.136
local terms energy: -49.938879
where:
bonds (distance) C4'-P energy: -9.645
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -198.186608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.186608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.186608 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.211
local terms energy: -65.267149
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -188.671904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.671904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.671904 (E_RNA)
where:
Base-Base interactions energy: -129.594
where: short stacking energy: -59.459
Base-Backbone interact. energy: -0.003
local terms energy: -59.074639
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -17.415
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: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -192.033405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.033405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.033405 (E_RNA)
where:
Base-Base interactions energy: -132.954
where: short stacking energy: -62.674
Base-Backbone interact. energy: -0.008
local terms energy: -59.071139
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -17.128
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: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -168.872953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.872953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.872953 (E_RNA)
where:
Base-Base interactions energy: -110.235
where: short stacking energy: -46.044
Base-Backbone interact. energy: -0.000
local terms energy: -58.637954
where:
bonds (distance) C4'-P energy: -9.733
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -13.660
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: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -184.630931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.630931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.630931 (E_RNA)
where:
Base-Base interactions energy: -124.942
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.004
local terms energy: -59.684923
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -6.679
tors. eta vs tors. theta energy: -15.707
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: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -168.711625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.711625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.711625 (E_RNA)
where:
Base-Base interactions energy: -118.874
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.260
local terms energy: -49.577664
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -12.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -170.847190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.847190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.847190 (E_RNA)
where:
Base-Base interactions energy: -117.189
where: short stacking energy: -50.431
Base-Backbone interact. energy: -0.003
local terms energy: -53.654368
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -12.287
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: 1
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -167.952111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.952111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.952111 (E_RNA)
where:
Base-Base interactions energy: -114.575
where: short stacking energy: -50.798
Base-Backbone interact. energy: 1.064
local terms energy: -54.441444
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -160.121292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.121292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.121292 (E_RNA)
where:
Base-Base interactions energy: -109.549
where: short stacking energy: -44.713
Base-Backbone interact. energy: -0.077
local terms energy: -50.495326
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -10.859
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: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -161.832079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.832079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.832079 (E_RNA)
where:
Base-Base interactions energy: -105.605
where: short stacking energy: -43.011
Base-Backbone interact. energy: -0.059
local terms energy: -56.168027
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -193.083732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.083732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.083732 (E_RNA)
where:
Base-Base interactions energy: -131.346
where: short stacking energy: -58.185
Base-Backbone interact. energy: -0.001
local terms energy: -61.737665
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -191.720063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.720063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720063 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -59.796
Base-Backbone interact. energy: -0.002
local terms energy: -63.392989
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -192.498564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.498564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.498564 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.002
local terms energy: -62.890314
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -187.607972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.607972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.607972 (E_RNA)
where:
Base-Base interactions energy: -128.987
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.001
local terms energy: -58.620129
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -10.586
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -180.192744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.192744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.192744 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -49.634
Base-Backbone interact. energy: -0.001
local terms energy: -53.183321
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -177.030192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.030192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.030192 (E_RNA)
where:
Base-Base interactions energy: -123.042
where: short stacking energy: -56.197
Base-Backbone interact. energy: -0.001
local terms energy: -53.986805
where:
bonds (distance) C4'-P energy: -8.959
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -4.369
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -169.417473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.417473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.417473 (E_RNA)
where:
Base-Base interactions energy: -112.994
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.346
local terms energy: -56.077533
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -5.457
tors. eta vs tors. theta energy: -14.877
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: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -162.587127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.587127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.587127 (E_RNA)
where:
Base-Base interactions energy: -117.911
where: short stacking energy: -44.435
Base-Backbone interact. energy: -0.254
local terms energy: -44.421730
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -8.301
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -163.175376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.175376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.175376 (E_RNA)
where:
Base-Base interactions energy: -113.593
where: short stacking energy: -48.510
Base-Backbone interact. energy: -0.001
local terms energy: -49.580904
where:
bonds (distance) C4'-P energy: -8.549
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -14.730
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: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -169.535558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.535558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.535558 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -51.614
Base-Backbone interact. energy: -0.002
local terms energy: -54.000405
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -13.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -192.859951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.859951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.859951 (E_RNA)
where:
Base-Base interactions energy: -134.190
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.004
local terms energy: -58.665743
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -192.017355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.017355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.017355 (E_RNA)
where:
Base-Base interactions energy: -131.841
where: short stacking energy: -60.294
Base-Backbone interact. energy: -0.008
local terms energy: -60.168865
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -17.631
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -190.272170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.272170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.272170 (E_RNA)
where:
Base-Base interactions energy: -129.551
where: short stacking energy: -60.888
Base-Backbone interact. energy: -0.004
local terms energy: -60.717182
where:
bonds (distance) C4'-P energy: -10.917
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -16.441
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: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -179.231524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.231524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.231524 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -48.945
Base-Backbone interact. energy: -0.335
local terms energy: -52.831370
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -185.476695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476695 (E_RNA)
where:
Base-Base interactions energy: -128.572
where: short stacking energy: -62.965
Base-Backbone interact. energy: -0.013
local terms energy: -56.891681
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -12.030
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -181.768558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.768558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.768558 (E_RNA)
where:
Base-Base interactions energy: -125.432
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.015
local terms energy: -56.321382
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -8.364
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: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -168.377240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.377240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.377240 (E_RNA)
where:
Base-Base interactions energy: -116.705
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.758
local terms energy: -50.913590
where:
bonds (distance) C4'-P energy: -9.920
bonds (distance) P-C4' energy: -8.086
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -176.102874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.102874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.102874 (E_RNA)
where:
Base-Base interactions energy: -124.912
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.155
local terms energy: -51.036079
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -9.818
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -174.056907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.056907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.056907 (E_RNA)
where:
Base-Base interactions energy: -120.962
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.253
local terms energy: -52.842164
where:
bonds (distance) C4'-P energy: -6.603
bonds (distance) P-C4' energy: -11.873
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -163.527386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.527386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.527386 (E_RNA)
where:
Base-Base interactions energy: -114.924
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.030
local terms energy: -48.572920
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -7.318
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -11.927
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: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -195.094116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094116 (E_RNA)
where:
Base-Base interactions energy: -136.772
where: short stacking energy: -61.404
Base-Backbone interact. energy: -0.027
local terms energy: -58.294856
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -186.825393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.825393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.825393 (E_RNA)
where:
Base-Base interactions energy: -128.244
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.001
local terms energy: -58.580057
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -13.783
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -190.653555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.653555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.653555 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -60.761
Base-Backbone interact. energy: 0.153
local terms energy: -62.490076
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -182.103578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.103578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.103578 (E_RNA)
where:
Base-Base interactions energy: -127.981
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.015
local terms energy: -54.107409
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -12.557
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: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -177.358243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.358243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.358243 (E_RNA)
where:
Base-Base interactions energy: -123.268
where: short stacking energy: -50.294
Base-Backbone interact. energy: 0.697
local terms energy: -54.787434
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -10.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -171.495489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.495489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.495489 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.858
local terms energy: -49.336106
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -9.008
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -8.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -173.062125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.062125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.062125 (E_RNA)
where:
Base-Base interactions energy: -115.614
where: short stacking energy: -45.908
Base-Backbone interact. energy: -0.000
local terms energy: -57.448080
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.152
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: 3
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -176.105907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.105907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.105907 (E_RNA)
where:
Base-Base interactions energy: -125.147
where: short stacking energy: -58.402
Base-Backbone interact. energy: -0.008
local terms energy: -50.951402
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -13.152
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: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -172.000326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.000326 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -49.411
Base-Backbone interact. energy: -0.386
local terms energy: -54.716758
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -7.065
flat angles C4'-P-C4' energy: -12.542
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -163.775756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.775756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.775756 (E_RNA)
where:
Base-Base interactions energy: -110.760
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.007
local terms energy: -53.008728
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -13.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -193.616624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.616624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.616624 (E_RNA)
where:
Base-Base interactions energy: -133.142
where: short stacking energy: -63.291
Base-Backbone interact. energy: -0.022
local terms energy: -60.453330
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -13.271
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: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -186.974703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.974703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.974703 (E_RNA)
where:
Base-Base interactions energy: -127.502
where: short stacking energy: -58.466
Base-Backbone interact. energy: -1.930
local terms energy: -57.541853
where:
bonds (distance) C4'-P energy: -10.702
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -179.984264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.984264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.984264 (E_RNA)
where:
Base-Base interactions energy: -129.291
where: short stacking energy: -51.744
Base-Backbone interact. energy: -0.103
local terms energy: -50.589697
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -9.687
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -11.928
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: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -186.852983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.852983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.852983 (E_RNA)
where:
Base-Base interactions energy: -137.025
where: short stacking energy: -55.004
Base-Backbone interact. energy: 3.319
local terms energy: -53.146813
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -7.719
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: 5, replica: 7
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -183.358831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.358831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.358831 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -55.594
Base-Backbone interact. energy: -0.119
local terms energy: -55.619391
where:
bonds (distance) C4'-P energy: -8.217
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -166.593493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.593493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.593493 (E_RNA)
where:
Base-Base interactions energy: -120.722
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.320
local terms energy: -45.551638
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -7.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -177.316069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.316069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.316069 (E_RNA)
where:
Base-Base interactions energy: -120.783
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.000
local terms energy: -56.532852
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -14.654
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: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -176.969606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.969606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.969606 (E_RNA)
where:
Base-Base interactions energy: -116.948
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.108
local terms energy: -59.913836
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -11.814
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -7.172
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -168.043634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.043634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.043634 (E_RNA)
where:
Base-Base interactions energy: -116.682
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.002
local terms energy: -51.359440
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -10.586
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: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -159.507884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.507884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.507884 (E_RNA)
where:
Base-Base interactions energy: -109.610
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.001
local terms energy: -49.897387
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -10.169
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -10.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -189.859864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.859864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.859864 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.003
local terms energy: -59.748852
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -14.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -189.909270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.909270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.909270 (E_RNA)
where:
Base-Base interactions energy: -129.395
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.078
local terms energy: -60.435587
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -182.246243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.246243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.246243 (E_RNA)
where:
Base-Base interactions energy: -132.080
where: short stacking energy: -52.061
Base-Backbone interact. energy: -0.365
local terms energy: -49.801819
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -190.026762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.026762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.026762 (E_RNA)
where:
Base-Base interactions energy: -128.590
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.013
local terms energy: -61.423967
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -16.123
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: 265
Temperature: 1.100000
Total energy: -181.445243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.445243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.445243 (E_RNA)
where:
Base-Base interactions energy: -123.070
where: short stacking energy: -57.081
Base-Backbone interact. energy: -0.056
local terms energy: -58.319077
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -179.315716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.315716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.315716 (E_RNA)
where:
Base-Base interactions energy: -121.989
where: short stacking energy: -56.160
Base-Backbone interact. energy: -0.065
local terms energy: -57.261504
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -9.639
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -178.511692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.511692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.511692 (E_RNA)
where:
Base-Base interactions energy: -120.857
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.043
local terms energy: -57.610934
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -4.986
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -165.394087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.394087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.394087 (E_RNA)
where:
Base-Base interactions energy: -118.464
where: short stacking energy: -52.720
Base-Backbone interact. energy: 1.824
local terms energy: -48.754284
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -161.919192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.919192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.919192 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -42.859
Base-Backbone interact. energy: -0.553
local terms energy: -50.231564
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -10.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -156.478228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.478228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.478228 (E_RNA)
where:
Base-Base interactions energy: -110.513
where: short stacking energy: -44.600
Base-Backbone interact. energy: -1.380
local terms energy: -44.585935
where:
bonds (distance) C4'-P energy: -6.161
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -7.827
flat angles P-C4'-P energy: -8.436
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: 10
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -191.857282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.857282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.857282 (E_RNA)
where:
Base-Base interactions energy: -134.394
where: short stacking energy: -59.610
Base-Backbone interact. energy: -0.002
local terms energy: -57.460613
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.897
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: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -183.179111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.179111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.179111 (E_RNA)
where:
Base-Base interactions energy: -122.097
where: short stacking energy: -51.970
Base-Backbone interact. energy: -0.024
local terms energy: -61.058024
where:
bonds (distance) C4'-P energy: -11.194
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -13.102
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: 266
Temperature: 1.000000
Total energy: -189.783450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.783450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.783450 (E_RNA)
where:
Base-Base interactions energy: -127.286
where: short stacking energy: -59.036
Base-Backbone interact. energy: -0.004
local terms energy: -62.493550
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -15.305
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: 4
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -183.925848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.925848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.925848 (E_RNA)
where:
Base-Base interactions energy: -124.796
where: short stacking energy: -49.729
Base-Backbone interact. energy: -0.119
local terms energy: -59.010554
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -184.156668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.156668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.156668 (E_RNA)
where:
Base-Base interactions energy: -127.575
where: short stacking energy: -58.747
Base-Backbone interact. energy: -0.574
local terms energy: -56.007728
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -9.921
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -14.625
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: 266
Temperature: 1.150000
Total energy: -175.292021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.292021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.292021 (E_RNA)
where:
Base-Base interactions energy: -118.187
where: short stacking energy: -48.959
Base-Backbone interact. energy: -0.006
local terms energy: -57.099086
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -14.280
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: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -181.737261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.737261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.737261 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -61.212
Base-Backbone interact. energy: 0.068
local terms energy: -53.918856
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -7.731
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -15.358
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: 5
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -174.501716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.501716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.501716 (E_RNA)
where:
Base-Base interactions energy: -123.136
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.063
local terms energy: -51.302437
where:
bonds (distance) C4'-P energy: -6.843
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -13.626
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: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -179.810116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.810116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.810116 (E_RNA)
where:
Base-Base interactions energy: -130.036
where: short stacking energy: -58.675
Base-Backbone interact. energy: -0.002
local terms energy: -49.772466
where:
bonds (distance) C4'-P energy: -10.056
bonds (distance) P-C4' energy: -5.878
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -169.868954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.868954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.868954 (E_RNA)
where:
Base-Base interactions energy: -121.908
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.082
local terms energy: -47.879167
where:
bonds (distance) C4'-P energy: -8.711
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -11.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -193.834450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.834450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.834450 (E_RNA)
where:
Base-Base interactions energy: -131.974
where: short stacking energy: -60.613
Base-Backbone interact. energy: -0.000
local terms energy: -61.860007
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -187.051990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.051990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.051990 (E_RNA)
where:
Base-Base interactions energy: -126.757
where: short stacking energy: -57.689
Base-Backbone interact. energy: -0.001
local terms energy: -60.294214
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.843
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -14.967
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -179.333748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.333748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.333748 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -57.922
Base-Backbone interact. energy: -0.035
local terms energy: -58.385059
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -177.885097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.885097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.885097 (E_RNA)
where:
Base-Base interactions energy: -119.367
where: short stacking energy: -56.254
Base-Backbone interact. energy: -0.003
local terms energy: -58.514605
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -14.863
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: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -184.816362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.816362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.816362 (E_RNA)
where:
Base-Base interactions energy: -121.162
where: short stacking energy: -54.421
Base-Backbone interact. energy: -0.005
local terms energy: -63.649435
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -17.143
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: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -179.072006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.072006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.072006 (E_RNA)
where:
Base-Base interactions energy: -123.168
where: short stacking energy: -50.290
Base-Backbone interact. energy: -0.045
local terms energy: -55.858626
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -175.498626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.498626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.498626 (E_RNA)
where:
Base-Base interactions energy: -116.040
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.437
local terms energy: -59.021716
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -10.621
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: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -176.018960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.018960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.018960 (E_RNA)
where:
Base-Base interactions energy: -129.071
where: short stacking energy: -51.972
Base-Backbone interact. energy: -1.142
local terms energy: -45.805600
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -4.579
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -12.727
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: 1
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -162.801189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.801189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.801189 (E_RNA)
where:
Base-Base interactions energy: -112.974
where: short stacking energy: -52.492
Base-Backbone interact. energy: -0.004
local terms energy: -49.822816
where:
bonds (distance) C4'-P energy: -7.861
bonds (distance) P-C4' energy: -9.010
flat angles C4'-P-C4' energy: -7.948
flat angles P-C4'-P energy: -9.770
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: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -167.403017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.403017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.403017 (E_RNA)
where:
Base-Base interactions energy: -116.217
where: short stacking energy: -52.010
Base-Backbone interact. energy: -0.003
local terms energy: -51.182798
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -7.732
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -13.606
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: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -195.538323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.538323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.538323 (E_RNA)
where:
Base-Base interactions energy: -129.461
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.069
local terms energy: -66.008826
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -15.941
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: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -189.299726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.299726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.299726 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -62.623
Base-Backbone interact. energy: -0.000
local terms energy: -56.957197
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -9.066
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -189.438897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.438897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438897 (E_RNA)
where:
Base-Base interactions energy: -134.325
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.156
local terms energy: -54.957967
where:
bonds (distance) C4'-P energy: -9.208
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -14.992
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: 2
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -176.033011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.033011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.033011 (E_RNA)
where:
Base-Base interactions energy: -119.365
where: short stacking energy: -53.123
Base-Backbone interact. energy: -0.028
local terms energy: -56.639925
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -16.064
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: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -180.062149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.062149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.062149 (E_RNA)
where:
Base-Base interactions energy: -120.783
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.980
local terms energy: -58.298949
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -13.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -174.320019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.320019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.320019 (E_RNA)
where:
Base-Base interactions energy: -115.184
where: short stacking energy: -47.140
Base-Backbone interact. energy: -0.074
local terms energy: -59.061844
where:
bonds (distance) C4'-P energy: -10.544
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -14.029
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: 5
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -171.082988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.082988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.082988 (E_RNA)
where:
Base-Base interactions energy: -117.521
where: short stacking energy: -47.546
Base-Backbone interact. energy: -0.479
local terms energy: -53.083320
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.500
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -171.361972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.361972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.361972 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.001
local terms energy: -50.862515
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -9.498
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -12.889
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: 9, replica: 8
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -174.962233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.962233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.962233 (E_RNA)
where:
Base-Base interactions energy: -115.736
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.030
local terms energy: -59.196184
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -14.679
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: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -161.663311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.663311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.663311 (E_RNA)
where:
Base-Base interactions energy: -129.497
where: short stacking energy: -46.231
Base-Backbone interact. energy: -0.194
local terms energy: -31.972482
where:
bonds (distance) C4'-P energy: -1.292
bonds (distance) P-C4' energy: -8.540
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -10.539
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: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -189.936194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.936194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.936194 (E_RNA)
where:
Base-Base interactions energy: -126.433
where: short stacking energy: -60.731
Base-Backbone interact. energy: -0.030
local terms energy: -63.473601
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -190.137672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.137672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.137672 (E_RNA)
where:
Base-Base interactions energy: -133.226
where: short stacking energy: -63.117
Base-Backbone interact. energy: -0.005
local terms energy: -56.906881
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -187.930371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.930371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.930371 (E_RNA)
where:
Base-Base interactions energy: -132.087
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.001
local terms energy: -55.841891
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -184.346497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346497 (E_RNA)
where:
Base-Base interactions energy: -125.290
where: short stacking energy: -56.184
Base-Backbone interact. energy: -0.002
local terms energy: -59.054137
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -12.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -178.006064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.006064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.006064 (E_RNA)
where:
Base-Base interactions energy: -124.744
where: short stacking energy: -53.742
Base-Backbone interact. energy: -0.001
local terms energy: -53.260770
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -177.670190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.670190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.670190 (E_RNA)
where:
Base-Base interactions energy: -123.677
where: short stacking energy: -57.073
Base-Backbone interact. energy: -0.015
local terms energy: -53.977686
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -13.911
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: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -172.660758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.660758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.660758 (E_RNA)
where:
Base-Base interactions energy: -121.876
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.091
local terms energy: -50.693979
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -2.933
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -171.179254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.179254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.179254 (E_RNA)
where:
Base-Base interactions energy: -116.984
where: short stacking energy: -45.701
Base-Backbone interact. energy: -0.292
local terms energy: -53.903746
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -10.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -167.418276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.418276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.418276 (E_RNA)
where:
Base-Base interactions energy: -112.703
where: short stacking energy: -50.387
Base-Backbone interact. energy: -0.004
local terms energy: -54.710671
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -3.058
tors. eta vs tors. theta energy: -15.659
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: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -166.477050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.477050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.477050 (E_RNA)
where:
Base-Base interactions energy: -117.330
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.046
local terms energy: -49.100502
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -11.029
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: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -195.809570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.809570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.809570 (E_RNA)
where:
Base-Base interactions energy: -134.527
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.055
local terms energy: -61.227087
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -189.942502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.942502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.942502 (E_RNA)
where:
Base-Base interactions energy: -129.417
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.033
local terms energy: -60.491985
where:
bonds (distance) C4'-P energy: -7.356
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.373
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: 10
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -187.557615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.557615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.557615 (E_RNA)
where:
Base-Base interactions energy: -131.257
where: short stacking energy: -58.567
Base-Backbone interact. energy: 0.479
local terms energy: -56.779273
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -189.557887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.557887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.557887 (E_RNA)
where:
Base-Base interactions energy: -129.121
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.009
local terms energy: -60.427720
where:
bonds (distance) C4'-P energy: -9.207
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -17.397
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: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -174.494134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.494134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.494134 (E_RNA)
where:
Base-Base interactions energy: -116.308
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.079
local terms energy: -58.106838
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -13.283
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: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -181.199557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.199557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.199557 (E_RNA)
where:
Base-Base interactions energy: -122.564
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.112
local terms energy: -58.523918
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -12.296
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: 8
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -175.500540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.500540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.500540 (E_RNA)
where:
Base-Base interactions energy: -121.898
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.339
local terms energy: -53.263510
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -11.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -169.173855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.173855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.173855 (E_RNA)
where:
Base-Base interactions energy: -121.176
where: short stacking energy: -48.574
Base-Backbone interact. energy: -0.269
local terms energy: -47.729144
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -8.816
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -7.294
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: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -183.448827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.448827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.448827 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -58.493
Base-Backbone interact. energy: -0.002
local terms energy: -57.045681
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -15.513
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: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -164.211650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.211650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.211650 (E_RNA)
where:
Base-Base interactions energy: -114.886
where: short stacking energy: -48.085
Base-Backbone interact. energy: -0.000
local terms energy: -49.325622
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -197.156501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.156501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.156501 (E_RNA)
where:
Base-Base interactions energy: -133.697
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.000
local terms energy: -63.459610
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -17.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -187.793282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.793282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.793282 (E_RNA)
where:
Base-Base interactions energy: -130.115
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.004
local terms energy: -57.674813
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -9.430
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -14.627
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: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -191.422421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.422421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422421 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -60.264
Base-Backbone interact. energy: -0.000
local terms energy: -60.496675
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -15.693
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: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -184.159168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.159168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.159168 (E_RNA)
where:
Base-Base interactions energy: -129.584
where: short stacking energy: -55.477
Base-Backbone interact. energy: -0.285
local terms energy: -54.290268
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -185.743380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.743380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.743380 (E_RNA)
where:
Base-Base interactions energy: -128.285
where: short stacking energy: -56.190
Base-Backbone interact. energy: -0.084
local terms energy: -57.374845
where:
bonds (distance) C4'-P energy: -9.364
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -13.818
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: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -182.197078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.197078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.197078 (E_RNA)
where:
Base-Base interactions energy: -120.779
where: short stacking energy: -58.070
Base-Backbone interact. energy: -0.184
local terms energy: -61.234290
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -12.407
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -171.973260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.973260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.973260 (E_RNA)
where:
Base-Base interactions energy: -124.301
where: short stacking energy: -52.413
Base-Backbone interact. energy: -0.712
local terms energy: -46.960220
where:
bonds (distance) C4'-P energy: -5.349
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -5.359
tors. eta vs tors. theta energy: -12.101
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: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -174.020053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.020053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.020053 (E_RNA)
where:
Base-Base interactions energy: -122.885
where: short stacking energy: -53.322
Base-Backbone interact. energy: -0.107
local terms energy: -51.027676
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -8.854
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -154.983869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.983869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.983869 (E_RNA)
where:
Base-Base interactions energy: -118.616
where: short stacking energy: -50.081
Base-Backbone interact. energy: 1.166
local terms energy: -37.533074
where:
bonds (distance) C4'-P energy: -4.827
bonds (distance) P-C4' energy: -6.305
flat angles C4'-P-C4' energy: -4.955
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -163.804607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.804607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.804607 (E_RNA)
where:
Base-Base interactions energy: -109.817
where: short stacking energy: -47.612
Base-Backbone interact. energy: -0.451
local terms energy: -53.536030
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -8.905
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: 1, replica: 10
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -194.454414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.454414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.454414 (E_RNA)
where:
Base-Base interactions energy: -135.204
where: short stacking energy: -60.950
Base-Backbone interact. energy: -0.005
local terms energy: -59.245487
where:
bonds (distance) C4'-P energy: -9.666
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -15.537
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: 272
Temperature: 0.950000
Total energy: -188.263849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.263849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.263849 (E_RNA)
where:
Base-Base interactions energy: -128.931
where: short stacking energy: -58.713
Base-Backbone interact. energy: -0.000
local terms energy: -59.332915
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -5.081
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -188.159716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.159716 (E_RNA)
where:
Base-Base interactions energy: -135.242
where: short stacking energy: -56.365
Base-Backbone interact. energy: -0.149
local terms energy: -52.768742
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -184.111710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.111710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.111710 (E_RNA)
where:
Base-Base interactions energy: -122.841
where: short stacking energy: -57.498
Base-Backbone interact. energy: -0.000
local terms energy: -61.270576
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -176.736103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.736103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.736103 (E_RNA)
where:
Base-Base interactions energy: -118.817
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.005
local terms energy: -57.914195
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -178.811120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.811120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.811120 (E_RNA)
where:
Base-Base interactions energy: -121.259
where: short stacking energy: -57.928
Base-Backbone interact. energy: -0.000
local terms energy: -57.551784
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -9.553
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -12.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -173.547431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.547431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.547431 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -51.499
Base-Backbone interact. energy: -0.083
local terms energy: -51.845220
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.238
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -14.386
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: 8, replica: 2
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -169.536567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.536567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.536567 (E_RNA)
where:
Base-Base interactions energy: -115.508
where: short stacking energy: -46.047
Base-Backbone interact. energy: -0.064
local terms energy: -53.964880
where:
bonds (distance) C4'-P energy: -9.424
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -153.623285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.623285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.623285 (E_RNA)
where:
Base-Base interactions energy: -102.168
where: short stacking energy: -42.589
Base-Backbone interact. energy: -0.008
local terms energy: -51.447550
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -114.796786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.796786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.796786 (E_RNA)
where:
Base-Base interactions energy: -76.991
where: short stacking energy: -30.811
Base-Backbone interact. energy: -0.038
local terms energy: -37.767785
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -8.570
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -1.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -195.766319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.766319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.766319 (E_RNA)
where:
Base-Base interactions energy: -131.374
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.000
local terms energy: -64.391853
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -15.684
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: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -187.655228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.655228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.655228 (E_RNA)
where:
Base-Base interactions energy: -129.447
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.032
local terms energy: -58.175676
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -188.544329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.544329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.544329 (E_RNA)
where:
Base-Base interactions energy: -129.912
where: short stacking energy: -59.370
Base-Backbone interact. energy: -0.004
local terms energy: -58.627551
where:
bonds (distance) C4'-P energy: -8.147
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -175.164662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.164662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.164662 (E_RNA)
where:
Base-Base interactions energy: -117.299
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.631
local terms energy: -57.234786
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -13.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -178.314771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.314771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.314771 (E_RNA)
where:
Base-Base interactions energy: -123.703
where: short stacking energy: -54.779
Base-Backbone interact. energy: -0.030
local terms energy: -54.581535
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -9.824
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -183.356557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.356557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.356557 (E_RNA)
where:
Base-Base interactions energy: -127.940
where: short stacking energy: -56.979
Base-Backbone interact. energy: -0.001
local terms energy: -55.415329
where:
bonds (distance) C4'-P energy: -9.596
bonds (distance) P-C4' energy: -7.635
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -177.694616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.694616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.694616 (E_RNA)
where:
Base-Base interactions energy: -118.718
where: short stacking energy: -50.813
Base-Backbone interact. energy: -1.059
local terms energy: -57.918264
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -161.069684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.069684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.069684 (E_RNA)
where:
Base-Base interactions energy: -112.593
where: short stacking energy: -46.027
Base-Backbone interact. energy: -0.002
local terms energy: -48.475076
where:
bonds (distance) C4'-P energy: -8.260
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -11.825
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: 9, replica: 2
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -165.364309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.364309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.364309 (E_RNA)
where:
Base-Base interactions energy: -114.488
where: short stacking energy: -49.088
Base-Backbone interact. energy: -0.151
local terms energy: -50.725087
where:
bonds (distance) C4'-P energy: -9.123
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -9.767
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -169.498552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.498552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.498552 (E_RNA)
where:
Base-Base interactions energy: -114.896
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.092
local terms energy: -54.510234
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -13.530
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: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -189.898738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.898738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.898738 (E_RNA)
where:
Base-Base interactions energy: -136.534
where: short stacking energy: -53.497
Base-Backbone interact. energy: -0.355
local terms energy: -53.010498
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -8.435
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -188.276038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.276038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.276038 (E_RNA)
where:
Base-Base interactions energy: -131.597
where: short stacking energy: -58.992
Base-Backbone interact. energy: -0.154
local terms energy: -56.524938
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -180.493823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.493823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.493823 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.414
local terms energy: -56.450711
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -9.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -179.159928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.159928 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.100
local terms energy: -57.373448
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -10.406
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -185.946713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.946713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.946713 (E_RNA)
where:
Base-Base interactions energy: -124.966
where: short stacking energy: -55.833
Base-Backbone interact. energy: -0.000
local terms energy: -60.980632
where:
bonds (distance) C4'-P energy: -10.197
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -182.337900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.337900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.337900 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -55.128
Base-Backbone interact. energy: -0.496
local terms energy: -59.088176
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -15.256
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: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -172.930894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.930894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.930894 (E_RNA)
where:
Base-Base interactions energy: -116.611
where: short stacking energy: -47.412
Base-Backbone interact. energy: -0.004
local terms energy: -56.316621
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -11.918
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: 5
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -173.683273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.683273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.683273 (E_RNA)
where:
Base-Base interactions energy: -115.967
where: short stacking energy: -52.493
Base-Backbone interact. energy: -0.005
local terms energy: -57.710741
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -10.328
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: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -163.540829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.540829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.540829 (E_RNA)
where:
Base-Base interactions energy: -119.363
where: short stacking energy: -55.058
Base-Backbone interact. energy: -0.006
local terms energy: -44.171938
where:
bonds (distance) C4'-P energy: -5.361
bonds (distance) P-C4' energy: -9.031
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -162.563258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.563258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.563258 (E_RNA)
where:
Base-Base interactions energy: -114.318
where: short stacking energy: -51.471
Base-Backbone interact. energy: 0.346
local terms energy: -48.591807
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -9.416
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: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -196.706319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.706319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706319 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.429
local terms energy: -60.896112
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -13.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -190.600558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.600558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.600558 (E_RNA)
where:
Base-Base interactions energy: -130.557
where: short stacking energy: -59.170
Base-Backbone interact. energy: -0.007
local terms energy: -60.036675
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -179.148785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.148785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.148785 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -55.553
Base-Backbone interact. energy: -0.045
local terms energy: -57.458978
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -177.034964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.034964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.034964 (E_RNA)
where:
Base-Base interactions energy: -124.010
where: short stacking energy: -50.450
Base-Backbone interact. energy: 0.998
local terms energy: -54.022493
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -13.924
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: 1
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -185.478636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.478636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478636 (E_RNA)
where:
Base-Base interactions energy: -132.126
where: short stacking energy: -57.912
Base-Backbone interact. energy: -0.183
local terms energy: -53.170033
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -179.176539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.176539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.176539 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -59.556
Base-Backbone interact. energy: -0.250
local terms energy: -50.222772
where:
bonds (distance) C4'-P energy: -7.978
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -168.801619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.801619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.801619 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -48.999
Base-Backbone interact. energy: -0.364
local terms energy: -49.967841
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -9.531
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -12.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -170.131326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.131326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.131326 (E_RNA)
where:
Base-Base interactions energy: -117.200
where: short stacking energy: -42.764
Base-Backbone interact. energy: -0.130
local terms energy: -52.800702
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -9.313
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: 5
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -164.434593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.434593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.434593 (E_RNA)
where:
Base-Base interactions energy: -116.817
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.058
local terms energy: -47.558987
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -9.487
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -9.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -163.407095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.407095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.407095 (E_RNA)
where:
Base-Base interactions energy: -116.394
where: short stacking energy: -48.285
Base-Backbone interact. energy: -0.009
local terms energy: -47.004629
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -6.176
flat angles C4'-P-C4' energy: -10.515
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -10.585
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -194.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.280242 (E_RNA)
where:
Base-Base interactions energy: -130.331
where: short stacking energy: -53.074
Base-Backbone interact. energy: -0.105
local terms energy: -63.844820
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -189.829799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829799 (E_RNA)
where:
Base-Base interactions energy: -124.816
where: short stacking energy: -54.316
Base-Backbone interact. energy: -0.006
local terms energy: -65.007381
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -16.769
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: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -190.281111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.281111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.281111 (E_RNA)
where:
Base-Base interactions energy: -125.424
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.000
local terms energy: -64.856473
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -182.514263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.514263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.514263 (E_RNA)
where:
Base-Base interactions energy: -123.871
where: short stacking energy: -55.661
Base-Backbone interact. energy: -0.024
local terms energy: -58.619443
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -183.519229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.519229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.519229 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.024
local terms energy: -57.381893
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -13.680
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: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -183.678750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.678750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.678750 (E_RNA)
where:
Base-Base interactions energy: -128.848
where: short stacking energy: -63.815
Base-Backbone interact. energy: -0.033
local terms energy: -54.798551
where:
bonds (distance) C4'-P energy: -8.252
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -15.527
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: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -171.656135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.656135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.656135 (E_RNA)
where:
Base-Base interactions energy: -121.618
where: short stacking energy: -54.625
Base-Backbone interact. energy: 0.197
local terms energy: -50.235137
where:
bonds (distance) C4'-P energy: -9.998
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -8.314
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -168.490706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.490706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.490706 (E_RNA)
where:
Base-Base interactions energy: -120.207
where: short stacking energy: -41.960
Base-Backbone interact. energy: -0.250
local terms energy: -48.034464
where:
bonds (distance) C4'-P energy: -8.118
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -174.780608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.780608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.780608 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.079
local terms energy: -50.820151
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -9.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -144.795348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.795348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.795348 (E_RNA)
where:
Base-Base interactions energy: -93.697
where: short stacking energy: -51.712
Base-Backbone interact. energy: -0.028
local terms energy: -51.071117
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -8.283
flat angles C4'-P-C4' energy: -9.609
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -13.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -190.659808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.659808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659808 (E_RNA)
where:
Base-Base interactions energy: -130.913
where: short stacking energy: -51.833
Base-Backbone interact. energy: -0.172
local terms energy: -59.575344
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -10.442
tors. eta vs tors. theta energy: -12.220
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: 277
Temperature: 0.950000
Total energy: -187.461813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.461813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.461813 (E_RNA)
where:
Base-Base interactions energy: -126.376
where: short stacking energy: -55.035
Base-Backbone interact. energy: 0.910
local terms energy: -61.996117
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -183.240457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.240457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.240457 (E_RNA)
where:
Base-Base interactions energy: -128.768
where: short stacking energy: -58.837
Base-Backbone interact. energy: -0.022
local terms energy: -54.450364
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -6.436
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -188.618228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.618228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.618228 (E_RNA)
where:
Base-Base interactions energy: -130.544
where: short stacking energy: -60.663
Base-Backbone interact. energy: -0.050
local terms energy: -58.023313
where:
bonds (distance) C4'-P energy: -7.233
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -188.536036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.536036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.536036 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.003
local terms energy: -58.896465
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -181.078673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.078673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.078673 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.020
local terms energy: -54.810248
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -176.498913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.498913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.498913 (E_RNA)
where:
Base-Base interactions energy: -125.042
where: short stacking energy: -58.114
Base-Backbone interact. energy: -0.027
local terms energy: -51.430453
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -10.390
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: -17.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -173.186617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.186617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.186617 (E_RNA)
where:
Base-Base interactions energy: -124.965
where: short stacking energy: -48.024
Base-Backbone interact. energy: -0.067
local terms energy: -48.154193
where:
bonds (distance) C4'-P energy: -8.875
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -7.562
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -175.458197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.458197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.458197 (E_RNA)
where:
Base-Base interactions energy: -124.733
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.485
local terms energy: -50.240805
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -11.031
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: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -131.319196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.319196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.319196 (E_RNA)
where:
Base-Base interactions energy: -85.490
where: short stacking energy: -44.223
Base-Backbone interact. energy: -0.012
local terms energy: -45.817901
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -3.344
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -196.078831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.078831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.078831 (E_RNA)
where:
Base-Base interactions energy: -133.003
where: short stacking energy: -60.417
Base-Backbone interact. energy: -0.523
local terms energy: -62.553134
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -188.694023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694023 (E_RNA)
where:
Base-Base interactions energy: -129.948
where: short stacking energy: -52.420
Base-Backbone interact. energy: -0.128
local terms energy: -58.618635
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -11.990
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: 3, replica: 7
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -191.693560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.693560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.693560 (E_RNA)
where:
Base-Base interactions energy: -132.014
where: short stacking energy: -62.515
Base-Backbone interact. energy: -0.012
local terms energy: -59.667728
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -6.500
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -188.975276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.975276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.975276 (E_RNA)
where:
Base-Base interactions energy: -127.741
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.005
local terms energy: -61.229052
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -17.780
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: 9
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -190.554405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.554405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.554405 (E_RNA)
where:
Base-Base interactions energy: -132.303
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.058
local terms energy: -58.193226
where:
bonds (distance) C4'-P energy: -10.321
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -177.629035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.629035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.629035 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.133
local terms energy: -50.195840
where:
bonds (distance) C4'-P energy: -6.487
bonds (distance) P-C4' energy: -7.911
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -14.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -180.475062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.475062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.475062 (E_RNA)
where:
Base-Base interactions energy: -125.171
where: short stacking energy: -55.557
Base-Backbone interact. energy: -0.345
local terms energy: -54.958898
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -13.186
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: 8, replica: 3
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -175.935560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.935560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.935560 (E_RNA)
where:
Base-Base interactions energy: -123.617
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.001
local terms energy: -52.317214
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -162.541759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.541759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.541759 (E_RNA)
where:
Base-Base interactions energy: -109.874
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.003
local terms energy: -52.664992
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -15.205
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: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -85.469916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.469916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.469916 (E_RNA)
where:
Base-Base interactions energy: -52.281
where: short stacking energy: -13.940
Base-Backbone interact. energy: -0.247
local terms energy: -32.942459
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -8.575
flat angles P-C4'-P energy: -2.681
tors. eta vs tors. theta energy: 2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -195.285553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.285553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.285553 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -63.669
Base-Backbone interact. energy: -0.001
local terms energy: -67.553512
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -18.203
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: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -189.766503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.766503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.766503 (E_RNA)
where:
Base-Base interactions energy: -129.964
where: short stacking energy: -60.701
Base-Backbone interact. energy: -0.679
local terms energy: -59.123514
where:
bonds (distance) C4'-P energy: -9.079
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -14.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -186.922396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.922396 (E_RNA)
where:
Base-Base interactions energy: -129.513
where: short stacking energy: -51.874
Base-Backbone interact. energy: -0.225
local terms energy: -57.184550
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -8.616
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -182.836936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.836936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.836936 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -47.796
Base-Backbone interact. energy: -1.798
local terms energy: -52.495979
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -185.067031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.067031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.067031 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.200
local terms energy: -61.713498
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -16.986
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -182.536767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.536767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.536767 (E_RNA)
where:
Base-Base interactions energy: -123.551
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.180
local terms energy: -58.806431
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -172.582628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.582628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.582628 (E_RNA)
where:
Base-Base interactions energy: -118.431
where: short stacking energy: -51.108
Base-Backbone interact. energy: 0.108
local terms energy: -54.259570
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -11.250
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: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -170.958614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.958614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.958614 (E_RNA)
where:
Base-Base interactions energy: -117.811
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.208
local terms energy: -52.939810
where:
bonds (distance) C4'-P energy: -10.424
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -164.561246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.561246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.561246 (E_RNA)
where:
Base-Base interactions energy: -115.727
where: short stacking energy: -49.647
Base-Backbone interact. energy: -0.092
local terms energy: -48.743039
where:
bonds (distance) C4'-P energy: -5.382
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -59.932836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.932836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.932836 (E_RNA)
where:
Base-Base interactions energy: -24.838
where: short stacking energy: -24.838
Base-Backbone interact. energy: 0.555
local terms energy: -35.650402
where:
bonds (distance) C4'-P energy: -7.883
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: -0.329
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: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -194.312123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.312123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.312123 (E_RNA)
where:
Base-Base interactions energy: -130.724
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.182
local terms energy: -63.406498
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -14.871
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: 280
Temperature: 0.950000
Total energy: -193.435631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.435631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.435631 (E_RNA)
where:
Base-Base interactions energy: -133.036
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.001
local terms energy: -60.399429
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -10.604
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -16.169
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: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -184.698760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.698760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.698760 (E_RNA)
where:
Base-Base interactions energy: -123.539
where: short stacking energy: -52.420
Base-Backbone interact. energy: -0.082
local terms energy: -61.077984
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -186.412230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.412230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.412230 (E_RNA)
where:
Base-Base interactions energy: -132.773
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.759
local terms energy: -52.880441
where:
bonds (distance) C4'-P energy: -8.267
bonds (distance) P-C4' energy: -8.245
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -13.607
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: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -182.281549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.281549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.281549 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -56.908
Base-Backbone interact. energy: -0.052
local terms energy: -56.207445
where:
bonds (distance) C4'-P energy: -10.156
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -11.979
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: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -170.549674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.549674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.549674 (E_RNA)
where:
Base-Base interactions energy: -118.734
where: short stacking energy: -52.208
Base-Backbone interact. energy: 0.281
local terms energy: -52.096355
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -179.765028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.765028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.765028 (E_RNA)
where:
Base-Base interactions energy: -124.979
where: short stacking energy: -49.460
Base-Backbone interact. energy: -0.105
local terms energy: -54.681939
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -10.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -176.513215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.513215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.513215 (E_RNA)
where:
Base-Base interactions energy: -121.319
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.447
local terms energy: -54.747178
where:
bonds (distance) C4'-P energy: -7.270
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -14.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -170.535327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.535327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.535327 (E_RNA)
where:
Base-Base interactions energy: -121.269
where: short stacking energy: -52.980
Base-Backbone interact. energy: 1.356
local terms energy: -50.622661
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -8.265
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -69.182937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.182937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.182937 (E_RNA)
where:
Base-Base interactions energy: -21.169
where: short stacking energy: -21.369
Base-Backbone interact. energy: -0.417
local terms energy: -47.597521
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.724
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -186.937074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.937074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.937074 (E_RNA)
where:
Base-Base interactions energy: -128.600
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.029
local terms energy: -58.308831
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -193.516710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.516710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.516710 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -55.847
Base-Backbone interact. energy: -0.061
local terms energy: -61.186353
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -13.744
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: 281
Temperature: 1.000000
Total energy: -186.514428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.514428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.514428 (E_RNA)
where:
Base-Base interactions energy: -126.763
where: short stacking energy: -50.261
Base-Backbone interact. energy: -0.006
local terms energy: -59.745114
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -12.723
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: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -190.248070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.248070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.248070 (E_RNA)
where:
Base-Base interactions energy: -136.136
where: short stacking energy: -64.858
Base-Backbone interact. energy: -0.014
local terms energy: -54.097485
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -9.283
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -16.264
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: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -183.254494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.254494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.254494 (E_RNA)
where:
Base-Base interactions energy: -130.286
where: short stacking energy: -61.626
Base-Backbone interact. energy: 0.349
local terms energy: -53.317992
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -180.128196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.128196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.128196 (E_RNA)
where:
Base-Base interactions energy: -120.426
where: short stacking energy: -48.186
Base-Backbone interact. energy: -0.376
local terms energy: -59.326172
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -166.325134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.325134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.325134 (E_RNA)
where:
Base-Base interactions energy: -118.881
where: short stacking energy: -45.897
Base-Backbone interact. energy: 0.065
local terms energy: -47.508960
where:
bonds (distance) C4'-P energy: -8.248
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -10.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -175.207175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.207175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.207175 (E_RNA)
where:
Base-Base interactions energy: -121.836
where: short stacking energy: -48.068
Base-Backbone interact. energy: -1.355
local terms energy: -52.017065
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -163.053403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.053403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.053403 (E_RNA)
where:
Base-Base interactions energy: -115.753
where: short stacking energy: -44.758
Base-Backbone interact. energy: -0.077
local terms energy: -47.223685
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -67.097035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.097035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.097035 (E_RNA)
where:
Base-Base interactions energy: -25.510
where: short stacking energy: -25.510
Base-Backbone interact. energy: -0.069
local terms energy: -41.517610
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.737
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -193.385369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.385369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.385369 (E_RNA)
where:
Base-Base interactions energy: -135.151
where: short stacking energy: -55.784
Base-Backbone interact. energy: 0.632
local terms energy: -58.866385
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -187.602140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.602140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.602140 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -59.107
Base-Backbone interact. energy: 0.046
local terms energy: -60.499575
where:
bonds (distance) C4'-P energy: -12.063
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: -15.348
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: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -187.068678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.068678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.068678 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -57.005
Base-Backbone interact. energy: 0.463
local terms energy: -62.545886
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -184.293969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.293969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.293969 (E_RNA)
where:
Base-Base interactions energy: -122.305
where: short stacking energy: -49.943
Base-Backbone interact. energy: -0.017
local terms energy: -61.971658
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -183.339901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.339901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.339901 (E_RNA)
where:
Base-Base interactions energy: -123.249
where: short stacking energy: -56.382
Base-Backbone interact. energy: -0.027
local terms energy: -60.063715
where:
bonds (distance) C4'-P energy: -7.862
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -15.679
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: 6, replica: 4
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -180.104495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.104495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.104495 (E_RNA)
where:
Base-Base interactions energy: -119.017
where: short stacking energy: -56.819
Base-Backbone interact. energy: -0.001
local terms energy: -61.085843
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -9.416
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -167.069712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.069712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.069712 (E_RNA)
where:
Base-Base interactions energy: -113.141
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.018
local terms energy: -53.910199
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -11.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -170.187254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.187254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.187254 (E_RNA)
where:
Base-Base interactions energy: -114.387
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.001
local terms energy: -55.799574
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -159.381470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.381470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.381470 (E_RNA)
where:
Base-Base interactions energy: -109.521
where: short stacking energy: -44.299
Base-Backbone interact. energy: -0.277
local terms energy: -49.582987
where:
bonds (distance) C4'-P energy: -8.835
bonds (distance) P-C4' energy: -8.081
flat angles C4'-P-C4' energy: -11.404
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -68.642488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.642488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.642488 (E_RNA)
where:
Base-Base interactions energy: -29.976
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.237
local terms energy: -38.428776
where:
bonds (distance) C4'-P energy: -6.533
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: 1.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -193.085124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085124 (E_RNA)
where:
Base-Base interactions energy: -135.630
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.877
local terms energy: -56.578694
where:
bonds (distance) C4'-P energy: -9.132
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -191.320795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.320795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.320795 (E_RNA)
where:
Base-Base interactions energy: -134.283
where: short stacking energy: -63.456
Base-Backbone interact. energy: -0.019
local terms energy: -57.018642
where:
bonds (distance) C4'-P energy: -6.993
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -7.831
tors. eta vs tors. theta energy: -17.087
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: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -187.787373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.787373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.787373 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.001
local terms energy: -63.176925
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -10.462
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -176.005050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.005050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.005050 (E_RNA)
where:
Base-Base interactions energy: -125.348
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.367
local terms energy: -50.289924
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -12.561
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: 6
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -183.865470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.865470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.865470 (E_RNA)
where:
Base-Base interactions energy: -125.513
where: short stacking energy: -58.419
Base-Backbone interact. energy: -0.002
local terms energy: -58.350487
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -176.684025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.684025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.684025 (E_RNA)
where:
Base-Base interactions energy: -124.438
where: short stacking energy: -54.420
Base-Backbone interact. energy: -0.005
local terms energy: -52.240898
where:
bonds (distance) C4'-P energy: -8.777
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -13.089
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: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -166.360633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.360633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.360633 (E_RNA)
where:
Base-Base interactions energy: -114.830
where: short stacking energy: -50.134
Base-Backbone interact. energy: -0.088
local terms energy: -51.443580
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -9.593
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -12.453
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: 8, replica: 8
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -176.688439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.688439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.688439 (E_RNA)
where:
Base-Base interactions energy: -115.442
where: short stacking energy: -51.782
Base-Backbone interact. energy: -0.009
local terms energy: -61.237378
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -151.302913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.302913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.302913 (E_RNA)
where:
Base-Base interactions energy: -104.092
where: short stacking energy: -43.323
Base-Backbone interact. energy: -0.101
local terms energy: -47.109724
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -7.868
flat angles P-C4'-P energy: -4.098
tors. eta vs tors. theta energy: -11.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -58.804563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.804563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.804563 (E_RNA)
where:
Base-Base interactions energy: -20.220
where: short stacking energy: -18.650
Base-Backbone interact. energy: -0.208
local terms energy: -38.377030
where:
bonds (distance) C4'-P energy: -7.631
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -9.345
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -193.608070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.608070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608070 (E_RNA)
where:
Base-Base interactions energy: -131.496
where: short stacking energy: -55.209
Base-Backbone interact. energy: -0.002
local terms energy: -62.110029
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -191.301129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.301129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.301129 (E_RNA)
where:
Base-Base interactions energy: -131.012
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.282
local terms energy: -60.006704
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -187.213801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.213801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.213801 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.035
local terms energy: -63.394817
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -13.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -185.614945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.614945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.614945 (E_RNA)
where:
Base-Base interactions energy: -127.843
where: short stacking energy: -55.114
Base-Backbone interact. energy: -0.017
local terms energy: -57.755135
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -8.154
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -180.598081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.598081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.598081 (E_RNA)
where:
Base-Base interactions energy: -119.948
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.086
local terms energy: -60.564544
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -164.921108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.921108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.921108 (E_RNA)
where:
Base-Base interactions energy: -113.757
where: short stacking energy: -46.789
Base-Backbone interact. energy: -0.107
local terms energy: -51.057542
where:
bonds (distance) C4'-P energy: -10.357
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -178.045535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.045535 (E_RNA)
where:
Base-Base interactions energy: -124.415
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.000
local terms energy: -53.629950
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -159.769008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.769008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.769008 (E_RNA)
where:
Base-Base interactions energy: -102.229
where: short stacking energy: -46.174
Base-Backbone interact. energy: -0.054
local terms energy: -57.486711
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -168.672118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.672118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.672118 (E_RNA)
where:
Base-Base interactions energy: -113.843
where: short stacking energy: -48.915
Base-Backbone interact. energy: -0.001
local terms energy: -54.828048
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -7.046
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -14.393
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: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -72.985737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.985737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.985737 (E_RNA)
where:
Base-Base interactions energy: -27.562
where: short stacking energy: -27.562
Base-Backbone interact. energy: -0.577
local terms energy: -44.846776
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -8.663
flat angles P-C4'-P energy: -5.386
tors. eta vs tors. theta energy: -5.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -195.094971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094971 (E_RNA)
where:
Base-Base interactions energy: -133.003
where: short stacking energy: -62.610
Base-Backbone interact. energy: -0.000
local terms energy: -62.091433
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -18.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -187.997227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.997227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.997227 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -54.606
Base-Backbone interact. energy: -0.351
local terms energy: -59.868080
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -189.038854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.038854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.038854 (E_RNA)
where:
Base-Base interactions energy: -131.605
where: short stacking energy: -64.530
Base-Backbone interact. energy: -0.026
local terms energy: -57.406970
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -9.355
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -16.437
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: 4, replica: 3
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -189.303926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.303926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.303926 (E_RNA)
where:
Base-Base interactions energy: -132.968
where: short stacking energy: -62.248
Base-Backbone interact. energy: -0.101
local terms energy: -56.234624
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -182.587874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.587874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.587874 (E_RNA)
where:
Base-Base interactions energy: -125.133
where: short stacking energy: -57.405
Base-Backbone interact. energy: -0.497
local terms energy: -56.958359
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -171.546455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.546455 (E_RNA)
where:
Base-Base interactions energy: -116.956
where: short stacking energy: -52.225
Base-Backbone interact. energy: 0.180
local terms energy: -54.769803
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -14.707
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: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -165.081034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.081034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.081034 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -46.658
Base-Backbone interact. energy: -0.028
local terms energy: -50.869756
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -8.479
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: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -171.755080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.755080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.755080 (E_RNA)
where:
Base-Base interactions energy: -116.541
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.065
local terms energy: -55.148899
where:
bonds (distance) C4'-P energy: -10.311
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -154.519504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.519504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.519504 (E_RNA)
where:
Base-Base interactions energy: -104.489
where: short stacking energy: -45.011
Base-Backbone interact. energy: -0.505
local terms energy: -49.525462
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.052
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -8.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -59.883811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.883811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.883811 (E_RNA)
where:
Base-Base interactions energy: -25.021
where: short stacking energy: -22.124
Base-Backbone interact. energy: 1.322
local terms energy: -36.184358
where:
bonds (distance) C4'-P energy: -9.829
bonds (distance) P-C4' energy: -9.038
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -193.491244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.491244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.491244 (E_RNA)
where:
Base-Base interactions energy: -130.650
where: short stacking energy: -58.009
Base-Backbone interact. energy: -0.001
local terms energy: -62.840299
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -196.705445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.705445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.705445 (E_RNA)
where:
Base-Base interactions energy: -136.044
where: short stacking energy: -55.466
Base-Backbone interact. energy: -0.404
local terms energy: -60.256903
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -188.438794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.438794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.438794 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -57.728
Base-Backbone interact. energy: 0.033
local terms energy: -59.948180
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -185.450485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.450485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.450485 (E_RNA)
where:
Base-Base interactions energy: -124.751
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.225
local terms energy: -60.474687
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -174.260306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.260306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.260306 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.066
local terms energy: -54.980713
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -12.165
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: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -174.893773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.893773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.893773 (E_RNA)
where:
Base-Base interactions energy: -125.896
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.072
local terms energy: -48.925302
where:
bonds (distance) C4'-P energy: -7.899
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -7.024
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -167.247736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.247736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.247736 (E_RNA)
where:
Base-Base interactions energy: -115.047
where: short stacking energy: -42.284
Base-Backbone interact. energy: -0.000
local terms energy: -52.200709
where:
bonds (distance) C4'-P energy: -8.804
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -4.714
tors. eta vs tors. theta energy: -13.274
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: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -162.877313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.877313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.877313 (E_RNA)
where:
Base-Base interactions energy: -115.070
where: short stacking energy: -45.111
Base-Backbone interact. energy: 1.269
local terms energy: -49.075909
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -5.759
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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -177.709868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.709868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.709868 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -56.858
Base-Backbone interact. energy: -0.006
local terms energy: -56.190173
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -11.116
tors. eta vs tors. theta energy: -17.127
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: 10, replica: 5
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -73.436749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.436749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.436749 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -33.282
Base-Backbone interact. energy: 1.341
local terms energy: -38.247310
where:
bonds (distance) C4'-P energy: -8.031
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -9.216
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -2.480
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: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -190.357739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.357739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.357739 (E_RNA)
where:
Base-Base interactions energy: -133.417
where: short stacking energy: -57.853
Base-Backbone interact. energy: 0.185
local terms energy: -57.124926
where:
bonds (distance) C4'-P energy: -8.491
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -11.619
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -15.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -195.221306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.221306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.221306 (E_RNA)
where:
Base-Base interactions energy: -131.932
where: short stacking energy: -59.667
Base-Backbone interact. energy: -0.001
local terms energy: -63.288510
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -185.319439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.319439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.319439 (E_RNA)
where:
Base-Base interactions energy: -126.108
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.872
local terms energy: -58.338955
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -191.243284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.243284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.243284 (E_RNA)
where:
Base-Base interactions energy: -131.156
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.005
local terms energy: -60.082248
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -185.371914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.371914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.371914 (E_RNA)
where:
Base-Base interactions energy: -125.104
where: short stacking energy: -55.697
Base-Backbone interact. energy: -0.002
local terms energy: -60.266154
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -178.352203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.352203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.352203 (E_RNA)
where:
Base-Base interactions energy: -124.868
where: short stacking energy: -55.771
Base-Backbone interact. energy: -0.015
local terms energy: -53.468864
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -12.875
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: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -171.123055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.123055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.123055 (E_RNA)
where:
Base-Base interactions energy: -117.163
where: short stacking energy: -57.076
Base-Backbone interact. energy: -0.143
local terms energy: -53.817112
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -174.250271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.250271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.250271 (E_RNA)
where:
Base-Base interactions energy: -120.681
where: short stacking energy: -45.731
Base-Backbone interact. energy: -0.042
local terms energy: -53.526549
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -9.830
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -14.947
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: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -162.427025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.427025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.427025 (E_RNA)
where:
Base-Base interactions energy: -118.158
where: short stacking energy: -51.649
Base-Backbone interact. energy: -0.375
local terms energy: -43.894748
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -9.079
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -67.220767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.220767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.220767 (E_RNA)
where:
Base-Base interactions energy: -32.563
where: short stacking energy: -17.841
Base-Backbone interact. energy: -0.785
local terms energy: -33.873676
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 3.308
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: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -192.661910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.661910 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -62.689
Base-Backbone interact. energy: -0.024
local terms energy: -60.695421
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -193.267397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.267397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.267397 (E_RNA)
where:
Base-Base interactions energy: -131.623
where: short stacking energy: -62.162
Base-Backbone interact. energy: -0.442
local terms energy: -61.202635
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -14.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -188.413514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.413514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.413514 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -62.443
Base-Backbone interact. energy: -0.009
local terms energy: -57.024476
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -185.962781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.962781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.962781 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -51.044
Base-Backbone interact. energy: -0.144
local terms energy: -60.376647
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -174.952255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.952255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.952255 (E_RNA)
where:
Base-Base interactions energy: -118.600
where: short stacking energy: -52.445
Base-Backbone interact. energy: -0.042
local terms energy: -56.310975
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -6.557
tors. eta vs tors. theta energy: -13.957
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: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -181.731452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.731452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.731452 (E_RNA)
where:
Base-Base interactions energy: -121.662
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.038
local terms energy: -60.031181
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -174.839598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.839598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.839598 (E_RNA)
where:
Base-Base interactions energy: -117.893
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.328
local terms energy: -56.618321
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -173.146360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.146360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.146360 (E_RNA)
where:
Base-Base interactions energy: -117.357
where: short stacking energy: -51.601
Base-Backbone interact. energy: -0.073
local terms energy: -55.716454
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -9.223
tors. eta vs tors. theta energy: -16.537
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: 1
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -165.094740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.094740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.094740 (E_RNA)
where:
Base-Base interactions energy: -117.217
where: short stacking energy: -50.348
Base-Backbone interact. energy: -0.002
local terms energy: -47.876482
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -6.866
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: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -68.169968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.169968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.169968 (E_RNA)
where:
Base-Base interactions energy: -26.899
where: short stacking energy: -26.899
Base-Backbone interact. energy: -0.042
local terms energy: -41.228636
where:
bonds (distance) C4'-P energy: -7.797
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -192.398001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.398001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.398001 (E_RNA)
where:
Base-Base interactions energy: -128.846
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.259
local terms energy: -63.292665
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -17.001
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: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -195.187055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.187055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.187055 (E_RNA)
where:
Base-Base interactions energy: -134.111
where: short stacking energy: -62.175
Base-Backbone interact. energy: -0.005
local terms energy: -61.071402
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -17.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -192.921054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921054 (E_RNA)
where:
Base-Base interactions energy: -133.738
where: short stacking energy: -62.180
Base-Backbone interact. energy: -0.109
local terms energy: -59.074479
where:
bonds (distance) C4'-P energy: -8.898
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -16.060
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: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -184.040389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.040389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.040389 (E_RNA)
where:
Base-Base interactions energy: -125.765
where: short stacking energy: -55.197
Base-Backbone interact. energy: -0.025
local terms energy: -58.249867
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -16.103
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: 2
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -175.119846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.119846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.119846 (E_RNA)
where:
Base-Base interactions energy: -123.347
where: short stacking energy: -56.764
Base-Backbone interact. energy: -0.010
local terms energy: -51.762589
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -171.673872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.673872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.673872 (E_RNA)
where:
Base-Base interactions energy: -118.091
where: short stacking energy: -46.712
Base-Backbone interact. energy: -0.266
local terms energy: -53.316335
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -172.886169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.886169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.886169 (E_RNA)
where:
Base-Base interactions energy: -121.327
where: short stacking energy: -52.475
Base-Backbone interact. energy: -0.003
local terms energy: -51.556575
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -9.180
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -7.927
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: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -168.485974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.485974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.485974 (E_RNA)
where:
Base-Base interactions energy: -125.013
where: short stacking energy: -59.068
Base-Backbone interact. energy: -0.084
local terms energy: -43.389705
where:
bonds (distance) C4'-P energy: -2.456
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.346
tors. eta vs tors. theta energy: -13.817
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: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -164.574097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.574097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.574097 (E_RNA)
where:
Base-Base interactions energy: -113.182
where: short stacking energy: -47.088
Base-Backbone interact. energy: 0.074
local terms energy: -51.466115
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -5.160
tors. eta vs tors. theta energy: -9.156
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: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -76.294800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.294800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.294800 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -15.402
Base-Backbone interact. energy: -0.442
local terms energy: -43.521932
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -9.126
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -2.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -193.383945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.383945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.383945 (E_RNA)
where:
Base-Base interactions energy: -128.668
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.003
local terms energy: -64.712963
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -17.457
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: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -194.796700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.796700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.796700 (E_RNA)
where:
Base-Base interactions energy: -130.277
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.239
local terms energy: -64.280844
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.993
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -190.034061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.034061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.034061 (E_RNA)
where:
Base-Base interactions energy: -127.696
where: short stacking energy: -60.215
Base-Backbone interact. energy: -0.005
local terms energy: -62.332746
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -183.326319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.326319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.326319 (E_RNA)
where:
Base-Base interactions energy: -125.319
where: short stacking energy: -49.983
Base-Backbone interact. energy: -0.046
local terms energy: -57.960964
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -13.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -177.418214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.418214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.418214 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.109
local terms energy: -57.133298
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -9.048
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -173.560931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.560931 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -51.195
Base-Backbone interact. energy: -0.169
local terms energy: -51.361273
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -9.555
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -12.820
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -181.655825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.655825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.655825 (E_RNA)
where:
Base-Base interactions energy: -129.321
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.013
local terms energy: -52.322011
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -8.707
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -13.828
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: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -171.849789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.849789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.849789 (E_RNA)
where:
Base-Base interactions energy: -120.088
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.005
local terms energy: -51.757478
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -8.893
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -14.589
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: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -160.202919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.202919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.202919 (E_RNA)
where:
Base-Base interactions energy: -115.523
where: short stacking energy: -46.088
Base-Backbone interact. energy: -0.172
local terms energy: -44.507870
where:
bonds (distance) C4'-P energy: -7.621
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -69.254874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.254874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.254874 (E_RNA)
where:
Base-Base interactions energy: -24.673
where: short stacking energy: -24.673
Base-Backbone interact. energy: -0.122
local terms energy: -44.459720
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -10.824
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -4.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -196.892121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.892121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.892121 (E_RNA)
where:
Base-Base interactions energy: -131.440
where: short stacking energy: -59.737
Base-Backbone interact. energy: -0.004
local terms energy: -65.448027
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -186.311013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.311013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.311013 (E_RNA)
where:
Base-Base interactions energy: -126.114
where: short stacking energy: -51.221
Base-Backbone interact. energy: -0.061
local terms energy: -60.135966
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -15.295
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: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -189.049996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049996 (E_RNA)
where:
Base-Base interactions energy: -127.611
where: short stacking energy: -60.097
Base-Backbone interact. energy: -0.062
local terms energy: -61.376728
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -187.189921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.189921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.189921 (E_RNA)
where:
Base-Base interactions energy: -135.550
where: short stacking energy: -53.850
Base-Backbone interact. energy: -0.180
local terms energy: -51.459914
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -6.746
tors. eta vs tors. theta energy: -12.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -187.193308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.193308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.193308 (E_RNA)
where:
Base-Base interactions energy: -128.006
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.049
local terms energy: -59.138955
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -13.779
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: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -182.725405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.725405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.725405 (E_RNA)
where:
Base-Base interactions energy: -127.937
where: short stacking energy: -56.431
Base-Backbone interact. energy: -0.535
local terms energy: -54.253374
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -16.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -174.586862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.586862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.586862 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -48.391
Base-Backbone interact. energy: -0.068
local terms energy: -50.862134
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -8.154
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -11.850
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: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -167.907448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.907448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.907448 (E_RNA)
where:
Base-Base interactions energy: -114.632
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.036
local terms energy: -53.239857
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -11.384
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -13.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -149.943232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.943232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.943232 (E_RNA)
where:
Base-Base interactions energy: -107.631
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.100
local terms energy: -42.211929
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -5.432
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -4.493
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: 10, replica: 5
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -69.793827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.793827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.793827 (E_RNA)
where:
Base-Base interactions energy: -30.260
where: short stacking energy: -17.414
Base-Backbone interact. energy: -0.018
local terms energy: -39.515898
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -3.779
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -195.439917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.439917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439917 (E_RNA)
where:
Base-Base interactions energy: -134.173
where: short stacking energy: -62.357
Base-Backbone interact. energy: -0.048
local terms energy: -61.218861
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -186.877453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.877453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.877453 (E_RNA)
where:
Base-Base interactions energy: -126.010
where: short stacking energy: -52.593
Base-Backbone interact. energy: -0.613
local terms energy: -60.254524
where:
bonds (distance) C4'-P energy: -9.029
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -17.131
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: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -189.760251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.760251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.760251 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -59.868
Base-Backbone interact. energy: -0.511
local terms energy: -53.967476
where:
bonds (distance) C4'-P energy: -9.895
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -12.604
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: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -192.432141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.432141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.432141 (E_RNA)
where:
Base-Base interactions energy: -129.630
where: short stacking energy: -58.064
Base-Backbone interact. energy: -0.002
local terms energy: -62.800202
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -10.522
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -15.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -190.409098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.409098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.409098 (E_RNA)
where:
Base-Base interactions energy: -129.293
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.000
local terms energy: -61.116014
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -10.629
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -177.671619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.671619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.671619 (E_RNA)
where:
Base-Base interactions energy: -122.190
where: short stacking energy: -47.560
Base-Backbone interact. energy: -1.045
local terms energy: -54.436236
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.093
flat angles P-C4'-P energy: -7.095
tors. eta vs tors. theta energy: -12.881
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -168.303080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.303080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.303080 (E_RNA)
where:
Base-Base interactions energy: -111.560
where: short stacking energy: -45.392
Base-Backbone interact. energy: -0.070
local terms energy: -56.672858
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -11.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -175.188230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.188230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.188230 (E_RNA)
where:
Base-Base interactions energy: -120.194
where: short stacking energy: -44.232
Base-Backbone interact. energy: -0.509
local terms energy: -54.485401
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -10.001
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: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -150.692148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.692148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.692148 (E_RNA)
where:
Base-Base interactions energy: -103.294
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.004
local terms energy: -47.394282
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -6.960
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -11.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -61.092464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.092464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.092464 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -19.702
Base-Backbone interact. energy: -0.048
local terms energy: -29.064432
where:
bonds (distance) C4'-P energy: -6.586
bonds (distance) P-C4' energy: -6.685
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -4.647
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -194.215871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.215871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.215871 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.057
local terms energy: -61.288167
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -10.670
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -191.164175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.164175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.164175 (E_RNA)
where:
Base-Base interactions energy: -134.877
where: short stacking energy: -55.544
Base-Backbone interact. energy: -1.146
local terms energy: -55.141816
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -181.983965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.983965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.983965 (E_RNA)
where:
Base-Base interactions energy: -123.744
where: short stacking energy: -57.830
Base-Backbone interact. energy: -0.003
local terms energy: -58.236500
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -182.744508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.744508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.744508 (E_RNA)
where:
Base-Base interactions energy: -123.884
where: short stacking energy: -59.831
Base-Backbone interact. energy: -0.009
local terms energy: -58.851307
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -13.046
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: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -176.876778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.876778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.876778 (E_RNA)
where:
Base-Base interactions energy: -124.916
where: short stacking energy: -56.653
Base-Backbone interact. energy: -0.194
local terms energy: -51.766533
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -186.198219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198219 (E_RNA)
where:
Base-Base interactions energy: -129.188
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.267
local terms energy: -56.744067
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -152.873268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.873268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.873268 (E_RNA)
where:
Base-Base interactions energy: -111.699
where: short stacking energy: -47.282
Base-Backbone interact. energy: -0.005
local terms energy: -41.169543
where:
bonds (distance) C4'-P energy: -4.966
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -6.969
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -10.455
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: 293
Temperature: 1.250000
Total energy: -162.274146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.274146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.274146 (E_RNA)
where:
Base-Base interactions energy: -119.414
where: short stacking energy: -50.050
Base-Backbone interact. energy: -0.018
local terms energy: -42.842257
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -7.341
flat angles C4'-P-C4' energy: -6.681
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -8.333
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -163.603108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.603108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.603108 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -48.360
Base-Backbone interact. energy: -0.081
local terms energy: -46.941705
where:
bonds (distance) C4'-P energy: -4.082
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -9.264
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -68.281416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.281416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.281416 (E_RNA)
where:
Base-Base interactions energy: -24.990
where: short stacking energy: -24.688
Base-Backbone interact. energy: -0.054
local terms energy: -43.237900
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -7.097
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -190.583053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.583053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.583053 (E_RNA)
where:
Base-Base interactions energy: -126.476
where: short stacking energy: -54.050
Base-Backbone interact. energy: -0.001
local terms energy: -64.106002
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -14.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -189.723792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.723792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.723792 (E_RNA)
where:
Base-Base interactions energy: -130.128
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.097
local terms energy: -59.499515
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -188.366987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.366987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.366987 (E_RNA)
where:
Base-Base interactions energy: -130.097
where: short stacking energy: -62.386
Base-Backbone interact. energy: -0.006
local terms energy: -58.264218
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -10.291
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -17.291
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: 294
Temperature: 1.050000
Total energy: -182.187167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.187167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.187167 (E_RNA)
where:
Base-Base interactions energy: -120.345
where: short stacking energy: -51.440
Base-Backbone interact. energy: -0.025
local terms energy: -61.817280
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -15.460
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: 5, replica: 6
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -175.513428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.513428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.513428 (E_RNA)
where:
Base-Base interactions energy: -117.300
where: short stacking energy: -48.611
Base-Backbone interact. energy: -0.082
local terms energy: -58.132017
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -13.270
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: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -183.516358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.516358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.516358 (E_RNA)
where:
Base-Base interactions energy: -124.680
where: short stacking energy: -57.323
Base-Backbone interact. energy: -0.088
local terms energy: -58.748634
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.444
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: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -168.662283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.662283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.662283 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -51.891
Base-Backbone interact. energy: -0.001
local terms energy: -48.971912
where:
bonds (distance) C4'-P energy: -11.111
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -10.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -173.155783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.155783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.155783 (E_RNA)
where:
Base-Base interactions energy: -117.042
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.006
local terms energy: -56.107340
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -6.459
flat angles P-C4'-P energy: -10.379
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: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -166.902354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.902354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.902354 (E_RNA)
where:
Base-Base interactions energy: -114.145
where: short stacking energy: -53.541
Base-Backbone interact. energy: -0.026
local terms energy: -52.731890
where:
bonds (distance) C4'-P energy: -4.786
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.465
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: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -67.203012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.203012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.203012 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -21.771
Base-Backbone interact. energy: -0.192
local terms energy: -38.107299
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -8.334
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -190.891091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.891091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.891091 (E_RNA)
where:
Base-Base interactions energy: -129.965
where: short stacking energy: -63.580
Base-Backbone interact. energy: -0.037
local terms energy: -60.888557
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -16.014
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -184.406942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.406942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.406942 (E_RNA)
where:
Base-Base interactions energy: -125.910
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.000
local terms energy: -58.496056
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -187.929591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.929591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.929591 (E_RNA)
where:
Base-Base interactions energy: -124.553
where: short stacking energy: -57.371
Base-Backbone interact. energy: -0.000
local terms energy: -63.376547
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -184.083141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.083141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.083141 (E_RNA)
where:
Base-Base interactions energy: -130.787
where: short stacking energy: -59.267
Base-Backbone interact. energy: -0.639
local terms energy: -52.656542
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -8.047
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -10.679
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: 5, replica: 2
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -181.926582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.926582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.926582 (E_RNA)
where:
Base-Base interactions energy: -127.598
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.010
local terms energy: -54.318098
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -181.532646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.532646 (E_RNA)
where:
Base-Base interactions energy: -120.631
where: short stacking energy: -54.536
Base-Backbone interact. energy: -0.095
local terms energy: -60.807152
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -181.349237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.349237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.349237 (E_RNA)
where:
Base-Base interactions energy: -121.981
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.005
local terms energy: -59.364008
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -13.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -170.166245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.166245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.166245 (E_RNA)
where:
Base-Base interactions energy: -119.476
where: short stacking energy: -50.978
Base-Backbone interact. energy: -0.034
local terms energy: -50.656460
where:
bonds (distance) C4'-P energy: -6.329
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -160.881292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.881292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.881292 (E_RNA)
where:
Base-Base interactions energy: -115.555
where: short stacking energy: -39.094
Base-Backbone interact. energy: -1.066
local terms energy: -44.259431
where:
bonds (distance) C4'-P energy: -6.061
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -68.969116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.969116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.969116 (E_RNA)
where:
Base-Base interactions energy: -26.368
where: short stacking energy: -26.368
Base-Backbone interact. energy: 0.800
local terms energy: -43.401007
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -3.466
tors. eta vs tors. theta energy: -6.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -188.809275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.809275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.809275 (E_RNA)
where:
Base-Base interactions energy: -130.046
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.158
local terms energy: -58.605506
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -16.014
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: 9
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -193.542718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.542718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.542718 (E_RNA)
where:
Base-Base interactions energy: -133.550
where: short stacking energy: -60.803
Base-Backbone interact. energy: -0.010
local terms energy: -59.982316
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -187.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.485799 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -53.630
Base-Backbone interact. energy: 0.094
local terms energy: -59.722587
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -187.355687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.355687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.355687 (E_RNA)
where:
Base-Base interactions energy: -124.496
where: short stacking energy: -58.440
Base-Backbone interact. energy: 0.315
local terms energy: -63.175293
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -175.841484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.841484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.841484 (E_RNA)
where:
Base-Base interactions energy: -121.685
where: short stacking energy: -47.113
Base-Backbone interact. energy: -0.035
local terms energy: -54.121978
where:
bonds (distance) C4'-P energy: -9.372
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -11.049
tors. eta vs tors. theta energy: -10.100
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: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -183.489248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.489248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489248 (E_RNA)
where:
Base-Base interactions energy: -118.923
where: short stacking energy: -54.760
Base-Backbone interact. energy: -0.045
local terms energy: -64.520756
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -16.318
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: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -168.519223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.519223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.519223 (E_RNA)
where:
Base-Base interactions energy: -119.467
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.001
local terms energy: -49.051686
where:
bonds (distance) C4'-P energy: -7.092
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -13.017
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: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -163.277990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.277990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.277990 (E_RNA)
where:
Base-Base interactions energy: -121.002
where: short stacking energy: -52.913
Base-Backbone interact. energy: -0.565
local terms energy: -41.711693
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -6.420
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -10.104
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: 9, replica: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -171.671244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671244 (E_RNA)
where:
Base-Base interactions energy: -115.342
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.296
local terms energy: -56.033150
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -71.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.484036 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -27.240
Base-Backbone interact. energy: -0.005
local terms energy: -44.239213
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -5.611
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: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -191.616572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.616572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.616572 (E_RNA)
where:
Base-Base interactions energy: -131.256
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.002
local terms energy: -60.358961
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -10.436
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -16.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -189.842501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.842501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.842501 (E_RNA)
where:
Base-Base interactions energy: -124.361
where: short stacking energy: -52.807
Base-Backbone interact. energy: -0.001
local terms energy: -65.481059
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -176.016048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.016048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.016048 (E_RNA)
where:
Base-Base interactions energy: -120.109
where: short stacking energy: -50.616
Base-Backbone interact. energy: -1.183
local terms energy: -54.724199
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -11.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -185.566772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.566772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.566772 (E_RNA)
where:
Base-Base interactions energy: -126.254
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.000
local terms energy: -59.312169
where:
bonds (distance) C4'-P energy: -12.532
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -180.236865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.236865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.236865 (E_RNA)
where:
Base-Base interactions energy: -121.560
where: short stacking energy: -55.359
Base-Backbone interact. energy: -0.000
local terms energy: -58.677132
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -11.180
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -177.218550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.218550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.218550 (E_RNA)
where:
Base-Base interactions energy: -122.715
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.280
local terms energy: -54.223791
where:
bonds (distance) C4'-P energy: -9.355
bonds (distance) P-C4' energy: -12.131
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -4.920
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -176.907895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.907895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.907895 (E_RNA)
where:
Base-Base interactions energy: -122.598
where: short stacking energy: -56.888
Base-Backbone interact. energy: -1.471
local terms energy: -52.838905
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -13.591
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -171.920985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.920985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.920985 (E_RNA)
where:
Base-Base interactions energy: -118.207
where: short stacking energy: -54.338
Base-Backbone interact. energy: -0.040
local terms energy: -53.673338
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -163.888686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.888686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.888686 (E_RNA)
where:
Base-Base interactions energy: -109.421
where: short stacking energy: -45.256
Base-Backbone interact. energy: -0.004
local terms energy: -54.464189
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -8.852
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -65.655899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.655899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.655899 (E_RNA)
where:
Base-Base interactions energy: -23.496
where: short stacking energy: -22.340
Base-Backbone interact. energy: -0.152
local terms energy: -42.007569
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -193.140226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.140226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.140226 (E_RNA)
where:
Base-Base interactions energy: -133.815
where: short stacking energy: -58.029
Base-Backbone interact. energy: -0.008
local terms energy: -59.317831
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.479
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -12.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -189.659048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.659048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.659048 (E_RNA)
where:
Base-Base interactions energy: -131.010
where: short stacking energy: -56.295
Base-Backbone interact. energy: -0.001
local terms energy: -58.647131
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -11.412
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -13.121
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -189.214165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.214165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.214165 (E_RNA)
where:
Base-Base interactions energy: -132.234
where: short stacking energy: -60.779
Base-Backbone interact. energy: 0.133
local terms energy: -57.113296
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -5.032
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -183.336374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.336374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.336374 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -51.082
Base-Backbone interact. energy: -0.330
local terms energy: -51.476596
where:
bonds (distance) C4'-P energy: -9.361
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -12.976
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -182.504092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504092 (E_RNA)
where:
Base-Base interactions energy: -124.448
where: short stacking energy: -57.441
Base-Backbone interact. energy: -0.624
local terms energy: -57.431447
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -176.753848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.753848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.753848 (E_RNA)
where:
Base-Base interactions energy: -121.975
where: short stacking energy: -51.188
Base-Backbone interact. energy: -0.095
local terms energy: -54.683155
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -9.577
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -176.679039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.679039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.679039 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.000
local terms energy: -57.434818
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -11.335
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -165.049345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.049345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.049345 (E_RNA)
where:
Base-Base interactions energy: -115.263
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.345
local terms energy: -49.441839
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -7.552
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -14.903
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: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -160.350210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.350210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.350210 (E_RNA)
where:
Base-Base interactions energy: -107.004
where: short stacking energy: -40.411
Base-Backbone interact. energy: -0.162
local terms energy: -53.184313
where:
bonds (distance) C4'-P energy: -10.347
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -11.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -64.825713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.825713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.825713 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.042
local terms energy: -33.538371
where:
bonds (distance) C4'-P energy: -7.995
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -6.471
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -193.702574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.702574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.702574 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -57.826
Base-Backbone interact. energy: -0.018
local terms energy: -66.599606
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -16.019
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: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -191.932660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.932660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.932660 (E_RNA)
where:
Base-Base interactions energy: -130.511
where: short stacking energy: -60.448
Base-Backbone interact. energy: -0.002
local terms energy: -61.419665
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -13.852
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: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -186.178603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.178603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.178603 (E_RNA)
where:
Base-Base interactions energy: -127.258
where: short stacking energy: -62.259
Base-Backbone interact. energy: -1.184
local terms energy: -57.736888
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -12.655
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: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -189.039671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.039671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.039671 (E_RNA)
where:
Base-Base interactions energy: -131.037
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.318
local terms energy: -57.684775
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -12.064
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: 6
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -183.351343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.351343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.351343 (E_RNA)
where:
Base-Base interactions energy: -126.539
where: short stacking energy: -51.376
Base-Backbone interact. energy: -0.185
local terms energy: -56.627280
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -177.584447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.584447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.584447 (E_RNA)
where:
Base-Base interactions energy: -122.075
where: short stacking energy: -58.799
Base-Backbone interact. energy: -0.002
local terms energy: -55.507339
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -175.579480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.579480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.579480 (E_RNA)
where:
Base-Base interactions energy: -121.277
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.008
local terms energy: -54.293835
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -8.713
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -14.017
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: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -169.067807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.067807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.067807 (E_RNA)
where:
Base-Base interactions energy: -118.608
where: short stacking energy: -50.591
Base-Backbone interact. energy: -0.001
local terms energy: -50.458651
where:
bonds (distance) C4'-P energy: -5.816
bonds (distance) P-C4' energy: -9.533
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -13.612
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: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -176.525777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.525777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.525777 (E_RNA)
where:
Base-Base interactions energy: -120.424
where: short stacking energy: -52.301
Base-Backbone interact. energy: -0.916
local terms energy: -55.186153
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -74.974500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.974500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.974500 (E_RNA)
where:
Base-Base interactions energy: -34.033
where: short stacking energy: -19.900
Base-Backbone interact. energy: -0.709
local terms energy: -40.232997
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -1.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -193.966316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.966316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.966316 (E_RNA)
where:
Base-Base interactions energy: -132.456
where: short stacking energy: -59.357
Base-Backbone interact. energy: 0.228
local terms energy: -61.738241
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -196.393466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.393466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.393466 (E_RNA)
where:
Base-Base interactions energy: -134.421
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.021
local terms energy: -61.951360
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -8.439
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -187.400077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.400077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.400077 (E_RNA)
where:
Base-Base interactions energy: -131.201
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.053
local terms energy: -56.146259
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -11.892
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: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -186.185580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.185580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.185580 (E_RNA)
where:
Base-Base interactions energy: -126.444
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.000
local terms energy: -59.741146
where:
bonds (distance) C4'-P energy: -11.091
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -181.823601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.823601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.823601 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -50.403
Base-Backbone interact. energy: -0.035
local terms energy: -57.241571
where:
bonds (distance) C4'-P energy: -9.936
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -12.558
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: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -181.796810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.796810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.796810 (E_RNA)
where:
Base-Base interactions energy: -123.934
where: short stacking energy: -55.458
Base-Backbone interact. energy: -0.004
local terms energy: -57.859026
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -15.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -180.095629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.095629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.095629 (E_RNA)
where:
Base-Base interactions energy: -121.993
where: short stacking energy: -54.094
Base-Backbone interact. energy: -0.002
local terms energy: -58.100766
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -162.527666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.527666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.527666 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.001
local terms energy: -53.182461
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -12.408
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -11.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -167.156925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.156925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.156925 (E_RNA)
where:
Base-Base interactions energy: -121.848
where: short stacking energy: -56.292
Base-Backbone interact. energy: -0.005
local terms energy: -45.303757
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -2.510
tors. eta vs tors. theta energy: -12.684
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: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -100.171788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.171788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.171788 (E_RNA)
where:
Base-Base interactions energy: -60.856
where: short stacking energy: -23.777
Base-Backbone interact. energy: -0.019
local terms energy: -39.296609
where:
bonds (distance) C4'-P energy: -7.782
bonds (distance) P-C4' energy: -10.808
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -1.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -195.039545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.039545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.039545 (E_RNA)
where:
Base-Base interactions energy: -129.906
where: short stacking energy: -61.768
Base-Backbone interact. energy: -0.025
local terms energy: -65.108643
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -191.881632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.881632 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -58.206
Base-Backbone interact. energy: -0.007
local terms energy: -62.606539
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -17.604
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: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -190.463211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.463211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.463211 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -60.065
Base-Backbone interact. energy: -0.001
local terms energy: -58.738850
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -180.089784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.089784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.089784 (E_RNA)
where:
Base-Base interactions energy: -124.172
where: short stacking energy: -53.133
Base-Backbone interact. energy: -0.022
local terms energy: -55.895698
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -6.622
tors. eta vs tors. theta energy: -13.460
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: 5, replica: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -186.322647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.322647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.322647 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.083
local terms energy: -57.957688
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -180.473313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.473313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.473313 (E_RNA)
where:
Base-Base interactions energy: -123.241
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.055
local terms energy: -57.176761
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -7.139
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -175.348867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.348867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.348867 (E_RNA)
where:
Base-Base interactions energy: -126.464
where: short stacking energy: -57.684
Base-Backbone interact. energy: 0.140
local terms energy: -49.024949
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -7.680
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -173.589654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.589654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.589654 (E_RNA)
where:
Base-Base interactions energy: -117.734
where: short stacking energy: -49.979
Base-Backbone interact. energy: -0.022
local terms energy: -55.833984
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -14.769
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: 1
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -168.178512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.178512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.178512 (E_RNA)
where:
Base-Base interactions energy: -121.100
where: short stacking energy: -53.031
Base-Backbone interact. energy: -0.001
local terms energy: -47.076865
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -5.975
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -3.011
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -66.733351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.733351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.733351 (E_RNA)
where:
Base-Base interactions energy: -30.315
where: short stacking energy: -20.527
Base-Backbone interact. energy: -0.253
local terms energy: -36.165816
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: 1.098
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: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -186.324927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.324927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.324927 (E_RNA)
where:
Base-Base interactions energy: -128.070
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.001
local terms energy: -58.254032
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -13.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -189.547093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.547093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.547093 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -58.595
Base-Backbone interact. energy: -0.004
local terms energy: -66.100554
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -187.709801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.709801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.709801 (E_RNA)
where:
Base-Base interactions energy: -131.958
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.045
local terms energy: -55.707438
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -14.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -186.792425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.792425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.792425 (E_RNA)
where:
Base-Base interactions energy: -128.952
where: short stacking energy: -60.357
Base-Backbone interact. energy: -0.032
local terms energy: -57.808692
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -8.576
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -182.577838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.577838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.577838 (E_RNA)
where:
Base-Base interactions energy: -129.071
where: short stacking energy: -58.957
Base-Backbone interact. energy: -0.005
local terms energy: -53.501483
where:
bonds (distance) C4'-P energy: -7.878
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -184.246770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.246770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.246770 (E_RNA)
where:
Base-Base interactions energy: -125.247
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.002
local terms energy: -58.997172
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -15.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -173.519057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.519057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.519057 (E_RNA)
where:
Base-Base interactions energy: -117.127
where: short stacking energy: -54.034
Base-Backbone interact. energy: -0.211
local terms energy: -56.181257
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -5.497
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: 8, replica: 10
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -166.191881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.191881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.191881 (E_RNA)
where:
Base-Base interactions energy: -114.289
where: short stacking energy: -50.491
Base-Backbone interact. energy: -0.807
local terms energy: -51.096145
where:
bonds (distance) C4'-P energy: -8.486
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -10.178
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: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -162.701187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.701187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.701187 (E_RNA)
where:
Base-Base interactions energy: -109.754
where: short stacking energy: -44.916
Base-Backbone interact. energy: 0.274
local terms energy: -53.221237
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -11.212
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -11.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -65.314681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.314681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.314681 (E_RNA)
where:
Base-Base interactions energy: -28.412
where: short stacking energy: -28.412
Base-Backbone interact. energy: -0.153
local terms energy: -36.749748
where:
bonds (distance) C4'-P energy: -6.355
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -195.213320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.213320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.213320 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.015
local terms energy: -62.573843
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -16.671
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: 9
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -194.702691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.702691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.702691 (E_RNA)
where:
Base-Base interactions energy: -129.665
where: short stacking energy: -62.746
Base-Backbone interact. energy: -0.002
local terms energy: -65.035413
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -9.997
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: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -187.845397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.845397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.845397 (E_RNA)
where:
Base-Base interactions energy: -128.477
where: short stacking energy: -56.309
Base-Backbone interact. energy: -0.553
local terms energy: -58.814971
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -9.950
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -185.669304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.669304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.669304 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -58.101
Base-Backbone interact. energy: -1.263
local terms energy: -57.611089
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -12.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -187.120853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.120853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.120853 (E_RNA)
where:
Base-Base interactions energy: -130.472
where: short stacking energy: -59.937
Base-Backbone interact. energy: -0.004
local terms energy: -56.644356
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -177.632837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.632837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.632837 (E_RNA)
where:
Base-Base interactions energy: -124.990
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.001
local terms energy: -52.642177
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -10.111
flat angles C4'-P-C4' energy: -8.969
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -179.117726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.117726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.117726 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -49.318
Base-Backbone interact. energy: -0.077
local terms energy: -61.352540
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -177.352649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.352649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.352649 (E_RNA)
where:
Base-Base interactions energy: -129.433
where: short stacking energy: -52.426
Base-Backbone interact. energy: -0.353
local terms energy: -47.566393
where:
bonds (distance) C4'-P energy: -6.541
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -8.232
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -156.188365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.188365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.188365 (E_RNA)
where:
Base-Base interactions energy: -111.913
where: short stacking energy: -44.391
Base-Backbone interact. energy: -0.005
local terms energy: -44.270445
where:
bonds (distance) C4'-P energy: -11.728
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -7.485
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -63.247882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.247882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.247882 (E_RNA)
where:
Base-Base interactions energy: -20.836
where: short stacking energy: -20.836
Base-Backbone interact. energy: -0.351
local terms energy: -42.060705
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -192.407820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.407820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.407820 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.015
local terms energy: -60.449878
where:
bonds (distance) C4'-P energy: -7.183
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -189.728074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.728074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.728074 (E_RNA)
where:
Base-Base interactions energy: -131.282
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.041
local terms energy: -58.404665
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -182.600822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.600822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.600822 (E_RNA)
where:
Base-Base interactions energy: -125.112
where: short stacking energy: -60.625
Base-Backbone interact. energy: -0.009
local terms energy: -57.479917
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -185.364265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.364265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.364265 (E_RNA)
where:
Base-Base interactions energy: -128.870
where: short stacking energy: -55.586
Base-Backbone interact. energy: -0.004
local terms energy: -56.490037
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -10.014
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -13.575
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: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -176.254866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.254866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.254866 (E_RNA)
where:
Base-Base interactions energy: -124.394
where: short stacking energy: -56.228
Base-Backbone interact. energy: -0.003
local terms energy: -51.858472
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -184.692474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.692474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.692474 (E_RNA)
where:
Base-Base interactions energy: -128.137
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.004
local terms energy: -56.551474
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -4.490
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -178.654929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.654929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.654929 (E_RNA)
where:
Base-Base interactions energy: -127.035
where: short stacking energy: -49.027
Base-Backbone interact. energy: -0.087
local terms energy: -51.532862
where:
bonds (distance) C4'-P energy: -3.234
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -172.037001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.037001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.037001 (E_RNA)
where:
Base-Base interactions energy: -122.099
where: short stacking energy: -54.013
Base-Backbone interact. energy: -0.000
local terms energy: -49.937764
where:
bonds (distance) C4'-P energy: -5.012
bonds (distance) P-C4' energy: -11.240
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -165.222857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.222857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.222857 (E_RNA)
where:
Base-Base interactions energy: -115.044
where: short stacking energy: -51.594
Base-Backbone interact. energy: -0.000
local terms energy: -50.178623
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -8.671
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -64.333185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.333185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.333185 (E_RNA)
where:
Base-Base interactions energy: -27.964
where: short stacking energy: -14.923
Base-Backbone interact. energy: 0.545
local terms energy: -36.914301
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: 1.033
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: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -194.792767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.792767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.792767 (E_RNA)
where:
Base-Base interactions energy: -130.242
where: short stacking energy: -58.994
Base-Backbone interact. energy: -0.634
local terms energy: -63.917010
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -15.979
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -186.470436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.470436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.470436 (E_RNA)
where:
Base-Base interactions energy: -124.095
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.022
local terms energy: -62.353787
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -15.786
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: 305
Temperature: 1.000000
Total energy: -182.291743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.291743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.291743 (E_RNA)
where:
Base-Base interactions energy: -122.844
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.202
local terms energy: -59.244964
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -15.412
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: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -184.058037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.058037 (E_RNA)
where:
Base-Base interactions energy: -127.344
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.004
local terms energy: -56.709619
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -181.594619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594619 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.015
local terms energy: -57.497272
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -9.601
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -14.667
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: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -171.928116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.928116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.928116 (E_RNA)
where:
Base-Base interactions energy: -120.563
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.012
local terms energy: -51.353493
where:
bonds (distance) C4'-P energy: -9.124
bonds (distance) P-C4' energy: -7.978
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -170.968293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.968293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.968293 (E_RNA)
where:
Base-Base interactions energy: -116.246
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.001
local terms energy: -54.721749
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -169.700902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.700902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.700902 (E_RNA)
where:
Base-Base interactions energy: -118.916
where: short stacking energy: -55.945
Base-Backbone interact. energy: -0.044
local terms energy: -50.740441
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -12.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -161.523941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.523941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.523941 (E_RNA)
where:
Base-Base interactions energy: -114.057
where: short stacking energy: -49.053
Base-Backbone interact. energy: 0.761
local terms energy: -48.226983
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -7.031
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -68.520828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.520828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.520828 (E_RNA)
where:
Base-Base interactions energy: -26.807
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.134
local terms energy: -41.579946
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -10.326
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: 0.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -194.259366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.259366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.259366 (E_RNA)
where:
Base-Base interactions energy: -129.611
where: short stacking energy: -62.749
Base-Backbone interact. energy: -0.000
local terms energy: -64.648170
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -190.435249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.435249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.435249 (E_RNA)
where:
Base-Base interactions energy: -128.175
where: short stacking energy: -59.839
Base-Backbone interact. energy: -0.001
local terms energy: -62.259251
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -188.882339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.882339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.882339 (E_RNA)
where:
Base-Base interactions energy: -128.479
where: short stacking energy: -61.066
Base-Backbone interact. energy: -0.259
local terms energy: -60.144430
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -179.310296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.310296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.310296 (E_RNA)
where:
Base-Base interactions energy: -123.600
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.000
local terms energy: -55.710027
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -11.721
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -12.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -184.787614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.787614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.787614 (E_RNA)
where:
Base-Base interactions energy: -125.305
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.596
local terms energy: -58.886688
where:
bonds (distance) C4'-P energy: -9.994
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -14.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -172.898719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.898719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.898719 (E_RNA)
where:
Base-Base interactions energy: -118.555
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.017
local terms energy: -54.326719
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -5.274
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -181.921999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.921999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.921999 (E_RNA)
where:
Base-Base interactions energy: -121.377
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.013
local terms energy: -60.532077
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -11.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -173.501594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.501594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.501594 (E_RNA)
where:
Base-Base interactions energy: -115.128
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.010
local terms energy: -58.363370
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.742
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -13.575
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: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -168.276489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.276489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.276489 (E_RNA)
where:
Base-Base interactions energy: -119.081
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.088
local terms energy: -49.107502
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -6.721
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -11.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -71.142510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.142510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.142510 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -30.588
Base-Backbone interact. energy: 0.997
local terms energy: -41.552318
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -5.993
tors. eta vs tors. theta energy: -3.334
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: 1, replica: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -191.553196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.553196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.553196 (E_RNA)
where:
Base-Base interactions energy: -134.917
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.053
local terms energy: -56.582968
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -194.936698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.936698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.936698 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.697
local terms energy: -60.282078
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -193.066231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.066231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.066231 (E_RNA)
where:
Base-Base interactions energy: -135.522
where: short stacking energy: -57.483
Base-Backbone interact. energy: -0.004
local terms energy: -57.540599
where:
bonds (distance) C4'-P energy: -10.466
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -10.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -190.371148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.371148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.371148 (E_RNA)
where:
Base-Base interactions energy: -129.661
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.006
local terms energy: -60.704104
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -181.950820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.950820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.950820 (E_RNA)
where:
Base-Base interactions energy: -126.179
where: short stacking energy: -59.536
Base-Backbone interact. energy: -0.001
local terms energy: -55.771586
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -9.431
flat angles C4'-P-C4' energy: -10.274
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -13.901
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: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -180.517621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.517621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.517621 (E_RNA)
where:
Base-Base interactions energy: -121.674
where: short stacking energy: -58.165
Base-Backbone interact. energy: -0.002
local terms energy: -58.841798
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -173.790650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.790650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.790650 (E_RNA)
where:
Base-Base interactions energy: -120.003
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.245
local terms energy: -53.543421
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -9.381
flat angles P-C4'-P energy: -3.838
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: 8, replica: 8
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -171.797903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.797903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.797903 (E_RNA)
where:
Base-Base interactions energy: -121.330
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.089
local terms energy: -50.378819
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -11.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -157.917915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.917915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.917915 (E_RNA)
where:
Base-Base interactions energy: -113.540
where: short stacking energy: -48.216
Base-Backbone interact. energy: -0.116
local terms energy: -44.261212
where:
bonds (distance) C4'-P energy: -10.367
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -8.189
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: 10, replica: 5
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -71.542098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.542098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.542098 (E_RNA)
where:
Base-Base interactions energy: -29.009
where: short stacking energy: -27.018
Base-Backbone interact. energy: 0.519
local terms energy: -43.052567
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -4.771
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -190.203849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.203849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.203849 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -61.112
Base-Backbone interact. energy: -0.014
local terms energy: -60.391081
where:
bonds (distance) C4'-P energy: -11.078
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -14.454
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: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -192.495827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.495827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495827 (E_RNA)
where:
Base-Base interactions energy: -127.238
where: short stacking energy: -64.075
Base-Backbone interact. energy: -0.001
local terms energy: -65.256739
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -7.882
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: 3, replica: 1
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -190.304604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.304604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.304604 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.125
local terms energy: -53.271060
where:
bonds (distance) C4'-P energy: -8.975
bonds (distance) P-C4' energy: -8.635
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -179.531195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.531195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.531195 (E_RNA)
where:
Base-Base interactions energy: -117.953
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.005
local terms energy: -61.573569
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -14.530
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: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -177.297699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.297699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.297699 (E_RNA)
where:
Base-Base interactions energy: -124.510
where: short stacking energy: -52.844
Base-Backbone interact. energy: -0.221
local terms energy: -52.566475
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -8.778
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -11.809
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: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -183.667275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.667275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.667275 (E_RNA)
where:
Base-Base interactions energy: -121.971
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.085
local terms energy: -61.611056
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -177.901141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.901141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.901141 (E_RNA)
where:
Base-Base interactions energy: -119.455
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.033
local terms energy: -58.413325
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -12.730
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: 10
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -167.275019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275019 (E_RNA)
where:
Base-Base interactions energy: -119.435
where: short stacking energy: -51.793
Base-Backbone interact. energy: -0.004
local terms energy: -47.835897
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -12.271
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -11.790
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -163.135364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.135364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.135364 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.037
local terms energy: -43.679441
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -4.787
flat angles P-C4'-P energy: -6.165
tors. eta vs tors. theta energy: -10.664
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: 5
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.865869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.865869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.865869 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -33.153
Base-Backbone interact. energy: -0.037
local terms energy: -45.516097
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -9.954
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -7.033
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -191.024957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.024957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.024957 (E_RNA)
where:
Base-Base interactions energy: -132.292
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.000
local terms energy: -58.732979
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -13.321
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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -194.438492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.438492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.438492 (E_RNA)
where:
Base-Base interactions energy: -129.758
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.000
local terms energy: -64.680363
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -185.087424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.087424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.087424 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -59.873
Base-Backbone interact. energy: -0.005
local terms energy: -54.816322
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -177.799708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.799708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.799708 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -54.742
Base-Backbone interact. energy: -0.000
local terms energy: -54.868572
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -177.663044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.663044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.663044 (E_RNA)
where:
Base-Base interactions energy: -118.642
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.100
local terms energy: -58.920960
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -180.859207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859207 (E_RNA)
where:
Base-Base interactions energy: -124.202
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.278
local terms energy: -56.379711
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -14.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -179.876892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.876892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.876892 (E_RNA)
where:
Base-Base interactions energy: -127.023
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.021
local terms energy: -52.832686
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -14.601
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: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -177.544703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.544703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.544703 (E_RNA)
where:
Base-Base interactions energy: -120.518
where: short stacking energy: -53.310
Base-Backbone interact. energy: -0.040
local terms energy: -56.986631
where:
bonds (distance) C4'-P energy: -8.524
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -15.552
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: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -162.153767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.153767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.153767 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -48.445
Base-Backbone interact. energy: -0.026
local terms energy: -51.278854
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -64.718740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.718740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.718740 (E_RNA)
where:
Base-Base interactions energy: -25.607
where: short stacking energy: -25.607
Base-Backbone interact. energy: -0.091
local terms energy: -39.020368
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -3.686
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -196.937938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.937938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.937938 (E_RNA)
where:
Base-Base interactions energy: -134.472
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.007
local terms energy: -62.458956
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -10.980
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -193.194913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.194913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.194913 (E_RNA)
where:
Base-Base interactions energy: -127.703
where: short stacking energy: -58.353
Base-Backbone interact. energy: -0.002
local terms energy: -65.490108
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -15.815
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: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -188.731675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.731675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.731675 (E_RNA)
where:
Base-Base interactions energy: -128.690
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.027
local terms energy: -60.015298
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -189.927540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.927540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.927540 (E_RNA)
where:
Base-Base interactions energy: -134.192
where: short stacking energy: -64.728
Base-Backbone interact. energy: -0.010
local terms energy: -55.725192
where:
bonds (distance) C4'-P energy: -4.570
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -7.609
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -184.423371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.423371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.423371 (E_RNA)
where:
Base-Base interactions energy: -124.443
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.043
local terms energy: -59.937475
where:
bonds (distance) C4'-P energy: -9.283
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -16.667
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: 310
Temperature: 1.150000
Total energy: -174.823566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.823566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.823566 (E_RNA)
where:
Base-Base interactions energy: -122.113
where: short stacking energy: -49.616
Base-Backbone interact. energy: -0.000
local terms energy: -52.710745
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -11.555
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -182.970487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.970487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.970487 (E_RNA)
where:
Base-Base interactions energy: -124.021
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.006
local terms energy: -58.942889
where:
bonds (distance) C4'-P energy: -8.488
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -16.720
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: 310
Temperature: 1.250000
Total energy: -169.657729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.657729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.657729 (E_RNA)
where:
Base-Base interactions energy: -118.678
where: short stacking energy: -52.467
Base-Backbone interact. energy: -0.017
local terms energy: -50.962246
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -8.769
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: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -174.245616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.245616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.245616 (E_RNA)
where:
Base-Base interactions energy: -115.833
where: short stacking energy: -54.098
Base-Backbone interact. energy: -0.002
local terms energy: -58.410275
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -9.496
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -17.214
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: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -60.093901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.093901 (E_RNA)
where:
Base-Base interactions energy: -22.954
where: short stacking energy: -22.840
Base-Backbone interact. energy: -0.405
local terms energy: -36.734797
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -9.642
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -192.431393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.431393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.431393 (E_RNA)
where:
Base-Base interactions energy: -132.287
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.004
local terms energy: -60.140969
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -188.863809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.863809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.863809 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.022
local terms energy: -62.046551
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -15.319
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: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -192.156531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.156531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.156531 (E_RNA)
where:
Base-Base interactions energy: -131.051
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.041
local terms energy: -61.064659
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -181.618991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.618991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.618991 (E_RNA)
where:
Base-Base interactions energy: -121.168
where: short stacking energy: -56.484
Base-Backbone interact. energy: -0.008
local terms energy: -60.443064
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -183.479369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.479369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.479369 (E_RNA)
where:
Base-Base interactions energy: -124.576
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.002
local terms energy: -58.901524
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -172.917826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.917826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917826 (E_RNA)
where:
Base-Base interactions energy: -123.029
where: short stacking energy: -53.970
Base-Backbone interact. energy: -0.096
local terms energy: -49.792756
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -9.342
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -175.919464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.919464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.919464 (E_RNA)
where:
Base-Base interactions energy: -122.165
where: short stacking energy: -53.704
Base-Backbone interact. energy: -0.001
local terms energy: -53.754214
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -171.564352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.564352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.564352 (E_RNA)
where:
Base-Base interactions energy: -119.842
where: short stacking energy: -50.305
Base-Backbone interact. energy: -0.319
local terms energy: -51.403479
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -170.932979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.932979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.932979 (E_RNA)
where:
Base-Base interactions energy: -113.048
where: short stacking energy: -51.317
Base-Backbone interact. energy: 0.087
local terms energy: -57.971806
where:
bonds (distance) C4'-P energy: -8.280
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -66.770360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.770360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.770360 (E_RNA)
where:
Base-Base interactions energy: -27.442
where: short stacking energy: -26.308
Base-Backbone interact. energy: 1.600
local terms energy: -40.928527
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.860
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -196.085362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.085362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.085362 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -66.309
Base-Backbone interact. energy: -0.008
local terms energy: -62.554641
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -15.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -193.071343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071343 (E_RNA)
where:
Base-Base interactions energy: -134.127
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.671
local terms energy: -58.272943
where:
bonds (distance) C4'-P energy: -8.471
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -190.896757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.896757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.896757 (E_RNA)
where:
Base-Base interactions energy: -129.637
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.013
local terms energy: -61.246610
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -184.621975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.621975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621975 (E_RNA)
where:
Base-Base interactions energy: -128.157
where: short stacking energy: -58.844
Base-Backbone interact. energy: -0.174
local terms energy: -56.291149
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -4.275
tors. eta vs tors. theta energy: -12.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -183.181738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.181738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.181738 (E_RNA)
where:
Base-Base interactions energy: -121.031
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.000
local terms energy: -62.150581
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -16.047
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: 6, replica: 7
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -178.947958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.947958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.947958 (E_RNA)
where:
Base-Base interactions energy: -121.003
where: short stacking energy: -55.057
Base-Backbone interact. energy: 0.411
local terms energy: -58.356015
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -176.000259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.000259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.000259 (E_RNA)
where:
Base-Base interactions energy: -120.269
where: short stacking energy: -50.888
Base-Backbone interact. energy: -0.001
local terms energy: -55.730931
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -161.252744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.252744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.252744 (E_RNA)
where:
Base-Base interactions energy: -113.735
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.192
local terms energy: -47.326064
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -7.823
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -171.981287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.981287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.981287 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -48.269
Base-Backbone interact. energy: -0.005
local terms energy: -52.732101
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -66.524652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.524652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.524652 (E_RNA)
where:
Base-Base interactions energy: -28.611
where: short stacking energy: -28.611
Base-Backbone interact. energy: -0.163
local terms energy: -37.750170
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -2.241
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -192.086496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.086496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.086496 (E_RNA)
where:
Base-Base interactions energy: -126.231
where: short stacking energy: -58.109
Base-Backbone interact. energy: 0.298
local terms energy: -66.153115
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -15.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -195.510274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.510274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.510274 (E_RNA)
where:
Base-Base interactions energy: -128.687
where: short stacking energy: -59.105
Base-Backbone interact. energy: -0.012
local terms energy: -66.811755
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -18.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -185.792265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792265 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -62.168
Base-Backbone interact. energy: -0.005
local terms energy: -54.178865
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -8.889
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -12.667
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: 4, replica: 9
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -191.231399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.231399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.231399 (E_RNA)
where:
Base-Base interactions energy: -132.655
where: short stacking energy: -61.159
Base-Backbone interact. energy: -0.004
local terms energy: -58.572458
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -179.645177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645177 (E_RNA)
where:
Base-Base interactions energy: -123.440
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.056
local terms energy: -56.149448
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -11.948
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -15.014
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: 313
Temperature: 1.150000
Total energy: -181.837500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.837500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.837500 (E_RNA)
where:
Base-Base interactions energy: -120.433
where: short stacking energy: -57.274
Base-Backbone interact. energy: -0.018
local terms energy: -61.386841
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -17.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -171.712940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.712940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.712940 (E_RNA)
where:
Base-Base interactions energy: -123.686
where: short stacking energy: -47.873
Base-Backbone interact. energy: -0.077
local terms energy: -47.949214
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -9.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -163.895622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.895622 (E_RNA)
where:
Base-Base interactions energy: -110.275
where: short stacking energy: -45.688
Base-Backbone interact. energy: 0.685
local terms energy: -54.305428
where:
bonds (distance) C4'-P energy: -11.228
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -13.009
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -169.491612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.491612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.491612 (E_RNA)
where:
Base-Base interactions energy: -115.561
where: short stacking energy: -49.840
Base-Backbone interact. energy: -0.003
local terms energy: -53.927482
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -4.722
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -65.204764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.204764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.204764 (E_RNA)
where:
Base-Base interactions energy: -26.291
where: short stacking energy: -24.666
Base-Backbone interact. energy: 2.605
local terms energy: -41.518680
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -8.666
flat angles P-C4'-P energy: -7.157
tors. eta vs tors. theta energy: -2.481
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: 314
Temperature: 0.900000
Total energy: -191.921707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.921707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.921707 (E_RNA)
where:
Base-Base interactions energy: -128.836
where: short stacking energy: -61.531
Base-Backbone interact. energy: 1.047
local terms energy: -64.131970
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -189.858794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.858794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.858794 (E_RNA)
where:
Base-Base interactions energy: -133.970
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.011
local terms energy: -55.877754
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -11.226
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: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -188.692419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.692419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.692419 (E_RNA)
where:
Base-Base interactions energy: -125.988
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.002
local terms energy: -62.701795
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -181.324279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.324279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.324279 (E_RNA)
where:
Base-Base interactions energy: -124.594
where: short stacking energy: -59.179
Base-Backbone interact. energy: -0.113
local terms energy: -56.617076
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -184.821720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.821720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.821720 (E_RNA)
where:
Base-Base interactions energy: -132.699
where: short stacking energy: -58.801
Base-Backbone interact. energy: -0.163
local terms energy: -51.959513
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -9.159
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -170.973009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.973009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.973009 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -49.924
Base-Backbone interact. energy: -0.055
local terms energy: -56.004735
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -178.765625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.765625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.765625 (E_RNA)
where:
Base-Base interactions energy: -123.999
where: short stacking energy: -56.476
Base-Backbone interact. energy: 0.536
local terms energy: -55.302684
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -13.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -162.138158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.138158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.138158 (E_RNA)
where:
Base-Base interactions energy: -114.573
where: short stacking energy: -47.871
Base-Backbone interact. energy: -0.256
local terms energy: -47.309296
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -7.637
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -10.727
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: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -166.901547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.901547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.901547 (E_RNA)
where:
Base-Base interactions energy: -114.144
where: short stacking energy: -46.606
Base-Backbone interact. energy: -0.002
local terms energy: -52.755923
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -9.445
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -8.344
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: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -61.275527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.275527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.275527 (E_RNA)
where:
Base-Base interactions energy: -26.340
where: short stacking energy: -17.454
Base-Backbone interact. energy: -0.405
local terms energy: -34.531044
where:
bonds (distance) C4'-P energy: -7.801
bonds (distance) P-C4' energy: -9.701
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -4.362
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -180.184306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.184306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.184306 (E_RNA)
where:
Base-Base interactions energy: -122.064
where: short stacking energy: -51.072
Base-Backbone interact. energy: -0.731
local terms energy: -57.389407
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -8.824
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -16.185
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: 9
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -196.654081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.654081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.654081 (E_RNA)
where:
Base-Base interactions energy: -130.879
where: short stacking energy: -61.996
Base-Backbone interact. energy: -0.012
local terms energy: -65.763193
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -14.689
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -16.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -184.845530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.845530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.845530 (E_RNA)
where:
Base-Base interactions energy: -127.741
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.721
local terms energy: -56.383255
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -14.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -182.640314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.640314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.640314 (E_RNA)
where:
Base-Base interactions energy: -124.529
where: short stacking energy: -52.917
Base-Backbone interact. energy: -0.000
local terms energy: -58.110746
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -184.826116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.826116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.826116 (E_RNA)
where:
Base-Base interactions energy: -123.714
where: short stacking energy: -56.529
Base-Backbone interact. energy: -0.021
local terms energy: -61.091504
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -13.577
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: 8
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -180.472110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.472110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.472110 (E_RNA)
where:
Base-Base interactions energy: -125.940
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.000
local terms energy: -54.531285
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -180.441335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.441335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.441335 (E_RNA)
where:
Base-Base interactions energy: -123.228
where: short stacking energy: -58.727
Base-Backbone interact. energy: -0.000
local terms energy: -57.212717
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -178.530633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.530633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.530633 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -50.269
Base-Backbone interact. energy: -0.234
local terms energy: -52.357597
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -11.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -147.671843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.671843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.671843 (E_RNA)
where:
Base-Base interactions energy: -101.065
where: short stacking energy: -36.575
Base-Backbone interact. energy: -0.011
local terms energy: -46.595823
where:
bonds (distance) C4'-P energy: -7.874
bonds (distance) P-C4' energy: -9.592
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -11.498
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: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -69.295738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.295738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.295738 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -27.959
Base-Backbone interact. energy: 0.604
local terms energy: -38.202049
where:
bonds (distance) C4'-P energy: -7.763
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -8.603
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -200.028976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.028976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.028976 (E_RNA)
where:
Base-Base interactions energy: -136.426
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.000
local terms energy: -63.602092
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -15.331
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: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -185.646264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.646264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.646264 (E_RNA)
where:
Base-Base interactions energy: -123.239
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.019
local terms energy: -62.388231
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -13.530
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: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -187.449810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.449810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.449810 (E_RNA)
where:
Base-Base interactions energy: -131.002
where: short stacking energy: -59.387
Base-Backbone interact. energy: -0.000
local terms energy: -56.446976
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -16.054
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: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -174.613670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.613670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.613670 (E_RNA)
where:
Base-Base interactions energy: -124.506
where: short stacking energy: -53.798
Base-Backbone interact. energy: -0.004
local terms energy: -50.103517
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -11.089
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -8.341
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: 5, replica: 8
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -172.483566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.483566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.483566 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.024
local terms energy: -46.681497
where:
bonds (distance) C4'-P energy: -6.607
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -10.498
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: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -174.257007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.257007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.257007 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -55.762
Base-Backbone interact. energy: -0.009
local terms energy: -52.902833
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -12.809
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: 316
Temperature: 1.200000
Total energy: -176.919038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.919038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.919038 (E_RNA)
where:
Base-Base interactions energy: -123.333
where: short stacking energy: -51.759
Base-Backbone interact. energy: -0.134
local terms energy: -53.451830
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -14.307
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: 10
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -172.941021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.941021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.941021 (E_RNA)
where:
Base-Base interactions energy: -117.474
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.078
local terms energy: -55.388560
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -150.041009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.041009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.041009 (E_RNA)
where:
Base-Base interactions energy: -111.729
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.654
local terms energy: -37.657568
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -2.149
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -7.011
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: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -62.929939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.929939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.929939 (E_RNA)
where:
Base-Base interactions energy: -28.584
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.127
local terms energy: -34.219188
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -1.549
tors. eta vs tors. theta energy: -1.973
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: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -192.882312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.882312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.882312 (E_RNA)
where:
Base-Base interactions energy: -127.740
where: short stacking energy: -60.226
Base-Backbone interact. energy: 0.144
local terms energy: -65.285968
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -16.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -192.743665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.743665 (E_RNA)
where:
Base-Base interactions energy: -130.137
where: short stacking energy: -62.393
Base-Backbone interact. energy: -0.000
local terms energy: -62.605796
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -11.525
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -16.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -183.232804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.232804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.232804 (E_RNA)
where:
Base-Base interactions energy: -126.782
where: short stacking energy: -55.814
Base-Backbone interact. energy: -0.001
local terms energy: -56.449550
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -11.278
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: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -182.070972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.070972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.070972 (E_RNA)
where:
Base-Base interactions energy: -124.161
where: short stacking energy: -54.426
Base-Backbone interact. energy: 0.084
local terms energy: -57.994064
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -179.044673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.044673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.044673 (E_RNA)
where:
Base-Base interactions energy: -122.156
where: short stacking energy: -56.876
Base-Backbone interact. energy: 0.123
local terms energy: -57.012371
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -11.147
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -14.665
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -171.343065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.343065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.343065 (E_RNA)
where:
Base-Base interactions energy: -117.978
where: short stacking energy: -43.970
Base-Backbone interact. energy: -0.118
local terms energy: -53.247135
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -10.724
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -166.746187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.746187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.746187 (E_RNA)
where:
Base-Base interactions energy: -109.690
where: short stacking energy: -48.007
Base-Backbone interact. energy: -0.007
local terms energy: -57.049334
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -162.851172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.851172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.851172 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -44.569
Base-Backbone interact. energy: -0.067
local terms energy: -48.839404
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -9.110
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: 10
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -160.921456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.921456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.921456 (E_RNA)
where:
Base-Base interactions energy: -118.076
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.121
local terms energy: -42.724435
where:
bonds (distance) C4'-P energy: -7.560
bonds (distance) P-C4' energy: -5.983
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -10.799
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: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -94.067270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.067270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.067270 (E_RNA)
where:
Base-Base interactions energy: -58.788
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.007
local terms energy: -35.272454
where:
bonds (distance) C4'-P energy: -5.578
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -10.480
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -194.270920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.270920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.270920 (E_RNA)
where:
Base-Base interactions energy: -134.431
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.011
local terms energy: -59.828435
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -6.044
tors. eta vs tors. theta energy: -16.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -195.058731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.058731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.058731 (E_RNA)
where:
Base-Base interactions energy: -132.015
where: short stacking energy: -61.091
Base-Backbone interact. energy: -0.019
local terms energy: -63.024729
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -17.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -181.240382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.240382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.240382 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -60.544
Base-Backbone interact. energy: -0.000
local terms energy: -52.579838
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -8.279
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -13.372
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: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -189.419601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.419601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.419601 (E_RNA)
where:
Base-Base interactions energy: -127.208
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.431
local terms energy: -61.780286
where:
bonds (distance) C4'-P energy: -8.855
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -13.354
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -17.098
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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -180.333997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.333997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.333997 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -52.557
Base-Backbone interact. energy: -0.114
local terms energy: -52.702497
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -178.468756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.468756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.468756 (E_RNA)
where:
Base-Base interactions energy: -129.166
where: short stacking energy: -54.226
Base-Backbone interact. energy: -0.426
local terms energy: -48.876011
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -5.442
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: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -175.201931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.201931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.201931 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -54.333
Base-Backbone interact. energy: -0.007
local terms energy: -54.435716
where:
bonds (distance) C4'-P energy: -7.746
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -12.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -167.972018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.972018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.972018 (E_RNA)
where:
Base-Base interactions energy: -119.318
where: short stacking energy: -49.999
Base-Backbone interact. energy: -0.093
local terms energy: -48.560593
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: -10.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -168.430957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.430957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.430957 (E_RNA)
where:
Base-Base interactions energy: -119.392
where: short stacking energy: -51.935
Base-Backbone interact. energy: -0.143
local terms energy: -48.895850
where:
bonds (distance) C4'-P energy: -9.314
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -13.312
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: 5
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -94.451567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.451567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.451567 (E_RNA)
where:
Base-Base interactions energy: -60.113
where: short stacking energy: -28.069
Base-Backbone interact. energy: -0.657
local terms energy: -33.681450
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -12.445
flat angles C4'-P-C4' energy: -5.589
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -191.488966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.488966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.488966 (E_RNA)
where:
Base-Base interactions energy: -130.772
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.043
local terms energy: -60.673822
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -192.927402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.927402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.927402 (E_RNA)
where:
Base-Base interactions energy: -130.116
where: short stacking energy: -59.896
Base-Backbone interact. energy: -0.011
local terms energy: -62.800407
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -192.501659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.501659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.501659 (E_RNA)
where:
Base-Base interactions energy: -129.206
where: short stacking energy: -54.798
Base-Backbone interact. energy: -0.175
local terms energy: -63.120858
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -189.091058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.091058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.091058 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.002
local terms energy: -58.942146
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -15.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -185.790802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.790802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.790802 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -56.221
Base-Backbone interact. energy: -0.361
local terms energy: -55.303888
where:
bonds (distance) C4'-P energy: -5.038
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -185.775278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.775278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.775278 (E_RNA)
where:
Base-Base interactions energy: -127.577
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.001
local terms energy: -58.197174
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -180.415470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.415470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.415470 (E_RNA)
where:
Base-Base interactions energy: -120.982
where: short stacking energy: -52.689
Base-Backbone interact. energy: -0.016
local terms energy: -59.417812
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -161.467737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.467737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.467737 (E_RNA)
where:
Base-Base interactions energy: -115.087
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.165
local terms energy: -46.215750
where:
bonds (distance) C4'-P energy: -9.896
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -164.382664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.382664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.382664 (E_RNA)
where:
Base-Base interactions energy: -111.956
where: short stacking energy: -48.714
Base-Backbone interact. energy: -0.002
local terms energy: -52.424075
where:
bonds (distance) C4'-P energy: -7.163
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -60.908100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.908100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.908100 (E_RNA)
where:
Base-Base interactions energy: -20.289
where: short stacking energy: -20.289
Base-Backbone interact. energy: -0.315
local terms energy: -40.304133
where:
bonds (distance) C4'-P energy: -9.344
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -2.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -193.088428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.088428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.088428 (E_RNA)
where:
Base-Base interactions energy: -132.298
where: short stacking energy: -63.313
Base-Backbone interact. energy: -0.014
local terms energy: -60.776787
where:
bonds (distance) C4'-P energy: -8.569
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -17.423
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: 320
Temperature: 0.950000
Total energy: -181.862248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.862248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.862248 (E_RNA)
where:
Base-Base interactions energy: -123.775
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.643
local terms energy: -57.444330
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -12.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -191.531677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.531677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.531677 (E_RNA)
where:
Base-Base interactions energy: -128.104
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.029
local terms energy: -63.399194
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -186.200194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.200194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.200194 (E_RNA)
where:
Base-Base interactions energy: -129.022
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.045
local terms energy: -57.133436
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -15.619
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: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -191.492575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.492575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.492575 (E_RNA)
where:
Base-Base interactions energy: -133.071
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.657
local terms energy: -57.764498
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -8.585
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -12.863
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -168.303189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.303189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.303189 (E_RNA)
where:
Base-Base interactions energy: -111.078
where: short stacking energy: -43.463
Base-Backbone interact. energy: -0.000
local terms energy: -57.225532
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -13.341
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: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -185.661737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.661737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.661737 (E_RNA)
where:
Base-Base interactions energy: -126.472
where: short stacking energy: -58.040
Base-Backbone interact. energy: -0.297
local terms energy: -58.893206
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -174.916556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.916556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.916556 (E_RNA)
where:
Base-Base interactions energy: -123.917
where: short stacking energy: -50.430
Base-Backbone interact. energy: -0.992
local terms energy: -50.007476
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -170.887201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.887201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.887201 (E_RNA)
where:
Base-Base interactions energy: -123.641
where: short stacking energy: -56.420
Base-Backbone interact. energy: -0.343
local terms energy: -46.903328
where:
bonds (distance) C4'-P energy: -4.037
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -10.725
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -14.672
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: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -60.849158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.849158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.849158 (E_RNA)
where:
Base-Base interactions energy: -28.068
where: short stacking energy: -28.068
Base-Backbone interact. energy: -0.148
local terms energy: -32.633081
where:
bonds (distance) C4'-P energy: -10.341
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -3.534
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -2.020
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: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -198.693040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.693040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.693040 (E_RNA)
where:
Base-Base interactions energy: -130.476
where: short stacking energy: -60.369
Base-Backbone interact. energy: -0.028
local terms energy: -68.189634
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -17.996
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: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -191.574536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.574536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.574536 (E_RNA)
where:
Base-Base interactions energy: -134.496
where: short stacking energy: -60.641
Base-Backbone interact. energy: -0.124
local terms energy: -56.954291
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -10.669
flat angles C4'-P-C4' energy: -13.384
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -13.236
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: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -188.347511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.347511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.347511 (E_RNA)
where:
Base-Base interactions energy: -128.004
where: short stacking energy: -55.829
Base-Backbone interact. energy: -0.000
local terms energy: -60.343505
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -9.716
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -177.680132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.680132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.680132 (E_RNA)
where:
Base-Base interactions energy: -121.541
where: short stacking energy: -53.736
Base-Backbone interact. energy: -0.010
local terms energy: -56.128584
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -14.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -181.364561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.364561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.364561 (E_RNA)
where:
Base-Base interactions energy: -126.580
where: short stacking energy: -58.491
Base-Backbone interact. energy: -0.058
local terms energy: -54.726004
where:
bonds (distance) C4'-P energy: -7.686
bonds (distance) P-C4' energy: -10.687
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -14.472
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: 3
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -179.011561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.011561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.011561 (E_RNA)
where:
Base-Base interactions energy: -120.429
where: short stacking energy: -53.263
Base-Backbone interact. energy: -0.033
local terms energy: -58.549240
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -175.817319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.817319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.817319 (E_RNA)
where:
Base-Base interactions energy: -121.391
where: short stacking energy: -53.336
Base-Backbone interact. energy: -0.001
local terms energy: -54.425766
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -169.463126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.463126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.463126 (E_RNA)
where:
Base-Base interactions energy: -123.066
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.139
local terms energy: -46.258016
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -8.148
flat angles C4'-P-C4' energy: -7.249
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -11.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -161.478226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.478226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.478226 (E_RNA)
where:
Base-Base interactions energy: -109.082
where: short stacking energy: -44.295
Base-Backbone interact. energy: -0.002
local terms energy: -52.394602
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -7.889
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: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -60.077755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.077755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.077755 (E_RNA)
where:
Base-Base interactions energy: -15.877
where: short stacking energy: -10.920
Base-Backbone interact. energy: -0.130
local terms energy: -44.070109
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -10.716
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -2.051
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: 322
Temperature: 0.900000
Total energy: -187.573465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.573465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.573465 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -57.266
Base-Backbone interact. energy: -0.124
local terms energy: -60.722180
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.626
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: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -191.799201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.799201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799201 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -57.480
Base-Backbone interact. energy: -0.246
local terms energy: -63.398756
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -14.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -185.999378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.999378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.999378 (E_RNA)
where:
Base-Base interactions energy: -127.398
where: short stacking energy: -59.982
Base-Backbone interact. energy: -0.005
local terms energy: -58.596047
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -12.009
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -14.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -190.635123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.635123 (E_RNA)
where:
Base-Base interactions energy: -131.339
where: short stacking energy: -57.770
Base-Backbone interact. energy: -0.130
local terms energy: -59.166530
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -166.406803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.406803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.406803 (E_RNA)
where:
Base-Base interactions energy: -110.952
where: short stacking energy: -45.904
Base-Backbone interact. energy: -0.182
local terms energy: -55.273080
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -11.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -178.388300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.388300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.388300 (E_RNA)
where:
Base-Base interactions energy: -120.266
where: short stacking energy: -55.334
Base-Backbone interact. energy: -0.099
local terms energy: -58.023262
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -10.902
flat angles C4'-P-C4' energy: -10.728
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -170.670693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.670693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.670693 (E_RNA)
where:
Base-Base interactions energy: -123.371
where: short stacking energy: -50.396
Base-Backbone interact. energy: -0.037
local terms energy: -47.262742
where:
bonds (distance) C4'-P energy: -5.597
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -9.860
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -170.143928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.143928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.143928 (E_RNA)
where:
Base-Base interactions energy: -119.144
where: short stacking energy: -40.531
Base-Backbone interact. energy: -0.036
local terms energy: -50.964149
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.459
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -66.121535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.121535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.121535 (E_RNA)
where:
Base-Base interactions energy: -26.493
where: short stacking energy: -21.490
Base-Backbone interact. energy: -0.052
local terms energy: -39.576591
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -9.662
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -160.758099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.758099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.758099 (E_RNA)
where:
Base-Base interactions energy: -112.533
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.448
local terms energy: -47.776984
where:
bonds (distance) C4'-P energy: -5.833
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -187.229728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.229728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.229728 (E_RNA)
where:
Base-Base interactions energy: -128.469
where: short stacking energy: -60.351
Base-Backbone interact. energy: -0.006
local terms energy: -58.754979
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.669
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -189.491567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.491567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.491567 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -57.726
Base-Backbone interact. energy: -0.008
local terms energy: -61.665030
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -12.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -186.643709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.643709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.643709 (E_RNA)
where:
Base-Base interactions energy: -130.887
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.014
local terms energy: -55.742827
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -11.779
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -180.879315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.879315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.879315 (E_RNA)
where:
Base-Base interactions energy: -119.450
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.004
local terms energy: -61.425521
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -171.991751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.991751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.991751 (E_RNA)
where:
Base-Base interactions energy: -121.098
where: short stacking energy: -50.042
Base-Backbone interact. energy: -0.098
local terms energy: -50.795029
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -9.322
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -10.249
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: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -179.535001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.535001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.535001 (E_RNA)
where:
Base-Base interactions energy: -123.498
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.001
local terms energy: -56.035643
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -174.583086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.583086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.583086 (E_RNA)
where:
Base-Base interactions energy: -119.685
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.010
local terms energy: -54.888108
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -176.265798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.265798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.265798 (E_RNA)
where:
Base-Base interactions energy: -125.003
where: short stacking energy: -59.641
Base-Backbone interact. energy: -0.004
local terms energy: -51.258859
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -13.818
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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -65.869631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.869631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.869631 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -27.844
Base-Backbone interact. energy: -0.598
local terms energy: -35.593893
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -7.713
flat angles C4'-P-C4' energy: -10.049
flat angles P-C4'-P energy: -3.116
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -138.203308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.203308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.203308 (E_RNA)
where:
Base-Base interactions energy: -93.162
where: short stacking energy: -39.745
Base-Backbone interact. energy: -0.081
local terms energy: -44.960405
where:
bonds (distance) C4'-P energy: -12.126
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -7.899
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -188.792120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.792120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792120 (E_RNA)
where:
Base-Base interactions energy: -131.899
where: short stacking energy: -61.106
Base-Backbone interact. energy: -0.005
local terms energy: -56.888128
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -14.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -194.678302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.678302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.678302 (E_RNA)
where:
Base-Base interactions energy: -130.377
where: short stacking energy: -64.640
Base-Backbone interact. energy: -0.007
local terms energy: -64.294348
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -188.956177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.956177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.956177 (E_RNA)
where:
Base-Base interactions energy: -133.329
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.096
local terms energy: -55.531037
where:
bonds (distance) C4'-P energy: -3.801
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -14.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -183.076904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.076904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.076904 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -57.788
Base-Backbone interact. energy: -0.001
local terms energy: -56.765949
where:
bonds (distance) C4'-P energy: -9.812
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.454
tors. eta vs tors. theta energy: -16.035
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: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -178.195934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.195934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.195934 (E_RNA)
where:
Base-Base interactions energy: -122.617
where: short stacking energy: -55.992
Base-Backbone interact. energy: -0.012
local terms energy: -55.566614
where:
bonds (distance) C4'-P energy: -5.907
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -16.813
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: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -183.800558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.800558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.800558 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -51.147
Base-Backbone interact. energy: -0.276
local terms energy: -48.180526
where:
bonds (distance) C4'-P energy: -7.398
bonds (distance) P-C4' energy: -10.180
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -12.070
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: 7
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -165.426963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.426963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.426963 (E_RNA)
where:
Base-Base interactions energy: -119.323
where: short stacking energy: -52.242
Base-Backbone interact. energy: 2.920
local terms energy: -49.023926
where:
bonds (distance) C4'-P energy: -7.836
bonds (distance) P-C4' energy: -8.780
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -6.440
tors. eta vs tors. theta energy: -12.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -178.488539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.488539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.488539 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -51.307
Base-Backbone interact. energy: -0.122
local terms energy: -57.871901
where:
bonds (distance) C4'-P energy: -8.566
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.301
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -15.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -159.676028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.676028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.676028 (E_RNA)
where:
Base-Base interactions energy: -115.317
where: short stacking energy: -45.738
Base-Backbone interact. energy: -0.015
local terms energy: -44.343982
where:
bonds (distance) C4'-P energy: -4.901
bonds (distance) P-C4' energy: -11.211
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -5.767
tors. eta vs tors. theta energy: -9.403
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: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -72.238491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.238491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.238491 (E_RNA)
where:
Base-Base interactions energy: -25.955
where: short stacking energy: -25.955
Base-Backbone interact. energy: -0.062
local terms energy: -46.221376
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -193.233161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.233161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.233161 (E_RNA)
where:
Base-Base interactions energy: -136.925
where: short stacking energy: -63.606
Base-Backbone interact. energy: -0.001
local terms energy: -56.307770
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -5.196
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -190.465969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.465969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.465969 (E_RNA)
where:
Base-Base interactions energy: -129.139
where: short stacking energy: -54.629
Base-Backbone interact. energy: -0.043
local terms energy: -61.283961
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.342
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -13.766
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: 3, replica: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -183.887446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.887446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.887446 (E_RNA)
where:
Base-Base interactions energy: -132.512
where: short stacking energy: -53.441
Base-Backbone interact. energy: -0.251
local terms energy: -51.125033
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -12.211
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -194.557507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.557507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557507 (E_RNA)
where:
Base-Base interactions energy: -131.995
where: short stacking energy: -62.444
Base-Backbone interact. energy: -0.004
local terms energy: -62.558025
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -16.134
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: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -183.987758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.987758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987758 (E_RNA)
where:
Base-Base interactions energy: -124.740
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.055
local terms energy: -59.193307
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -12.550
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -165.972254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.972254 (E_RNA)
where:
Base-Base interactions energy: -113.689
where: short stacking energy: -45.478
Base-Backbone interact. energy: 0.145
local terms energy: -52.428588
where:
bonds (distance) C4'-P energy: -8.529
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -10.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -176.512336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512336 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -55.627
Base-Backbone interact. energy: -0.037
local terms energy: -47.811062
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -8.538
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -11.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -169.647848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.647848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.647848 (E_RNA)
where:
Base-Base interactions energy: -116.323
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.026
local terms energy: -53.298504
where:
bonds (distance) C4'-P energy: -12.101
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -10.156
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: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -170.176908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.176908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.176908 (E_RNA)
where:
Base-Base interactions energy: -119.358
where: short stacking energy: -53.455
Base-Backbone interact. energy: -0.003
local terms energy: -50.816489
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -8.806
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -15.543
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: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -71.700529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.700529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.700529 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -20.246
Base-Backbone interact. energy: 1.558
local terms energy: -28.737452
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -6.376
flat angles P-C4'-P energy: -2.986
tors. eta vs tors. theta energy: 3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -193.120905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.120905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.120905 (E_RNA)
where:
Base-Base interactions energy: -128.608
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.630
local terms energy: -63.882442
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -16.606
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -194.206998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.206998 (E_RNA)
where:
Base-Base interactions energy: -134.174
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.011
local terms energy: -60.021725
where:
bonds (distance) C4'-P energy: -7.217
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -179.330854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.330854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.330854 (E_RNA)
where:
Base-Base interactions energy: -125.876
where: short stacking energy: -54.350
Base-Backbone interact. energy: -0.122
local terms energy: -53.333373
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.174
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: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -182.543015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.543015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.543015 (E_RNA)
where:
Base-Base interactions energy: -132.645
where: short stacking energy: -53.011
Base-Backbone interact. energy: -0.776
local terms energy: -49.122160
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -10.607
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -186.399248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.399248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.399248 (E_RNA)
where:
Base-Base interactions energy: -126.988
where: short stacking energy: -56.685
Base-Backbone interact. energy: 0.130
local terms energy: -59.541374
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -175.930002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.930002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.930002 (E_RNA)
where:
Base-Base interactions energy: -122.868
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.090
local terms energy: -52.971613
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -13.673
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: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -167.420058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.420058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.420058 (E_RNA)
where:
Base-Base interactions energy: -124.915
where: short stacking energy: -51.989
Base-Backbone interact. energy: -0.192
local terms energy: -42.312800
where:
bonds (distance) C4'-P energy: -5.519
bonds (distance) P-C4' energy: -9.244
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -169.173776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.173776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.173776 (E_RNA)
where:
Base-Base interactions energy: -121.900
where: short stacking energy: -47.859
Base-Backbone interact. energy: -0.169
local terms energy: -47.104644
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -6.875
flat angles C4'-P-C4' energy: -10.234
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -11.532
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -167.207102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.207102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.207102 (E_RNA)
where:
Base-Base interactions energy: -120.315
where: short stacking energy: -52.134
Base-Backbone interact. energy: -0.014
local terms energy: -46.878828
where:
bonds (distance) C4'-P energy: -7.808
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -8.824
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -63.815366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.815366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.815366 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -20.742
Base-Backbone interact. energy: -0.275
local terms energy: -26.366237
where:
bonds (distance) C4'-P energy: -5.841
bonds (distance) P-C4' energy: -7.822
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -4.987
tors. eta vs tors. theta energy: 2.864
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: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -198.838282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.838282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.838282 (E_RNA)
where:
Base-Base interactions energy: -133.450
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.001
local terms energy: -65.387492
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -191.331367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.331367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.331367 (E_RNA)
where:
Base-Base interactions energy: -133.549
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.011
local terms energy: -57.771311
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -9.709
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: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -183.442149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.442149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.442149 (E_RNA)
where:
Base-Base interactions energy: -129.154
where: short stacking energy: -59.836
Base-Backbone interact. energy: -0.001
local terms energy: -54.287389
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -7.731
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -181.120904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.120904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.120904 (E_RNA)
where:
Base-Base interactions energy: -119.801
where: short stacking energy: -52.294
Base-Backbone interact. energy: -0.386
local terms energy: -60.933980
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -14.914
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: 7
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -182.817489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.817489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.817489 (E_RNA)
where:
Base-Base interactions energy: -123.261
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.140
local terms energy: -59.417238
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -12.539
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -178.104826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.104826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.104826 (E_RNA)
where:
Base-Base interactions energy: -124.686
where: short stacking energy: -55.243
Base-Backbone interact. energy: -0.322
local terms energy: -53.096505
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -14.141
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: 8
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -172.681950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.681950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.681950 (E_RNA)
where:
Base-Base interactions energy: -121.956
where: short stacking energy: -51.239
Base-Backbone interact. energy: -0.005
local terms energy: -50.720608
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -10.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -164.123719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.123719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.123719 (E_RNA)
where:
Base-Base interactions energy: -113.211
where: short stacking energy: -43.850
Base-Backbone interact. energy: -0.081
local terms energy: -50.831702
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -8.813
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -157.593522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.593522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.593522 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -43.561
Base-Backbone interact. energy: 0.498
local terms energy: -46.957744
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -8.494
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -8.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -88.741660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.741660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.741660 (E_RNA)
where:
Base-Base interactions energy: -40.245
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.059
local terms energy: -48.437832
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -7.992
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: 1
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -195.201469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.201469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.201469 (E_RNA)
where:
Base-Base interactions energy: -130.437
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.007
local terms energy: -64.757508
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -190.047636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.047636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.047636 (E_RNA)
where:
Base-Base interactions energy: -133.476
where: short stacking energy: -61.821
Base-Backbone interact. energy: -0.076
local terms energy: -56.495275
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -9.198
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -15.725
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -186.119859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.119859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.119859 (E_RNA)
where:
Base-Base interactions energy: -127.735
where: short stacking energy: -59.563
Base-Backbone interact. energy: -0.003
local terms energy: -58.382057
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -178.078202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.078202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.078202 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -56.117
Base-Backbone interact. energy: -0.001
local terms energy: -53.836098
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -10.384
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -13.208
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: 7
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -183.749437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.749437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.749437 (E_RNA)
where:
Base-Base interactions energy: -126.172
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.000
local terms energy: -57.576906
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -16.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -177.197597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.197597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.197597 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -51.605
Base-Backbone interact. energy: -0.159
local terms energy: -57.044547
where:
bonds (distance) C4'-P energy: -7.526
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -177.630740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.630740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.630740 (E_RNA)
where:
Base-Base interactions energy: -121.546
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.086
local terms energy: -55.998737
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -5.938
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -180.644009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.644009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.644009 (E_RNA)
where:
Base-Base interactions energy: -130.781
where: short stacking energy: -61.155
Base-Backbone interact. energy: -0.012
local terms energy: -49.850696
where:
bonds (distance) C4'-P energy: -10.763
bonds (distance) P-C4' energy: -7.272
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -168.923971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.923971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.923971 (E_RNA)
where:
Base-Base interactions energy: -126.473
where: short stacking energy: -46.701
Base-Backbone interact. energy: -0.551
local terms energy: -41.899660
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -6.915
flat angles C4'-P-C4' energy: -8.802
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -64.048372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.048372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.048372 (E_RNA)
where:
Base-Base interactions energy: -32.152
where: short stacking energy: -30.205
Base-Backbone interact. energy: -0.102
local terms energy: -31.794210
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -6.437
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -2.216
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: 1, replica: 1
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -193.381042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.381042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.381042 (E_RNA)
where:
Base-Base interactions energy: -134.854
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.018
local terms energy: -58.509241
where:
bonds (distance) C4'-P energy: -9.249
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -193.884144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.884144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.884144 (E_RNA)
where:
Base-Base interactions energy: -134.529
where: short stacking energy: -63.281
Base-Backbone interact. energy: -0.010
local terms energy: -59.345248
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -15.556
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: 9
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -188.565455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.565455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.565455 (E_RNA)
where:
Base-Base interactions energy: -132.273
where: short stacking energy: -53.983
Base-Backbone interact. energy: 0.091
local terms energy: -56.382922
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -11.219
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -8.816
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: 4, replica: 7
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -185.818187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.818187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.818187 (E_RNA)
where:
Base-Base interactions energy: -127.378
where: short stacking energy: -56.058
Base-Backbone interact. energy: -0.007
local terms energy: -58.433083
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -184.793742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.793742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.793742 (E_RNA)
where:
Base-Base interactions energy: -126.135
where: short stacking energy: -56.897
Base-Backbone interact. energy: 0.299
local terms energy: -58.958367
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -14.243
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: 4
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -181.870339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.870339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.870339 (E_RNA)
where:
Base-Base interactions energy: -125.952
where: short stacking energy: -55.595
Base-Backbone interact. energy: -0.042
local terms energy: -55.875669
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -14.544
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: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -178.941273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.941273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.941273 (E_RNA)
where:
Base-Base interactions energy: -126.667
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.138
local terms energy: -52.136200
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -12.676
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: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -166.553313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.553313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.553313 (E_RNA)
where:
Base-Base interactions energy: -116.753
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.116
local terms energy: -49.683687
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -13.035
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: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -165.782666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.782666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.782666 (E_RNA)
where:
Base-Base interactions energy: -109.344
where: short stacking energy: -48.878
Base-Backbone interact. energy: -0.002
local terms energy: -56.436018
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -5.166
tors. eta vs tors. theta energy: -14.752
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: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -71.015535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.015535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.015535 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -25.042
Base-Backbone interact. energy: -0.194
local terms energy: -35.064630
where:
bonds (distance) C4'-P energy: -7.301
bonds (distance) P-C4' energy: -8.316
flat angles C4'-P-C4' energy: -9.610
flat angles P-C4'-P energy: -5.342
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -195.019066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.019066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.019066 (E_RNA)
where:
Base-Base interactions energy: -133.789
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.393
local terms energy: -60.837806
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -17.375
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: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -190.498765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.498765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.498765 (E_RNA)
where:
Base-Base interactions energy: -131.407
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.000
local terms energy: -59.091190
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -16.443
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: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -188.092519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.092519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.092519 (E_RNA)
where:
Base-Base interactions energy: -132.758
where: short stacking energy: -63.784
Base-Backbone interact. energy: -0.000
local terms energy: -55.334171
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -8.502
flat angles C4'-P-C4' energy: -10.177
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -14.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -191.051927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.051927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.051927 (E_RNA)
where:
Base-Base interactions energy: -132.521
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.025
local terms energy: -58.506372
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -173.723946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.723946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.723946 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -55.729
Base-Backbone interact. energy: -0.026
local terms energy: -51.119187
where:
bonds (distance) C4'-P energy: -6.367
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -178.623269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.623269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.623269 (E_RNA)
where:
Base-Base interactions energy: -119.774
where: short stacking energy: -55.421
Base-Backbone interact. energy: -0.014
local terms energy: -58.834409
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -10.301
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -179.598860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.598860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.598860 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -53.633
Base-Backbone interact. energy: -0.016
local terms energy: -57.007517
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -166.365907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.365907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.365907 (E_RNA)
where:
Base-Base interactions energy: -114.369
where: short stacking energy: -49.912
Base-Backbone interact. energy: -0.000
local terms energy: -51.996132
where:
bonds (distance) C4'-P energy: -9.417
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -11.181
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -160.880628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.880628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.880628 (E_RNA)
where:
Base-Base interactions energy: -111.595
where: short stacking energy: -46.208
Base-Backbone interact. energy: -0.000
local terms energy: -49.285501
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -7.238
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -73.800828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.800828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.800828 (E_RNA)
where:
Base-Base interactions energy: -37.362
where: short stacking energy: -16.072
Base-Backbone interact. energy: -0.819
local terms energy: -35.620027
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -1.968
tors. eta vs tors. theta energy: 0.252
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: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -191.891982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.891982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.891982 (E_RNA)
where:
Base-Base interactions energy: -132.526
where: short stacking energy: -63.269
Base-Backbone interact. energy: -0.002
local terms energy: -59.363746
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -13.614
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -187.379296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.379296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.379296 (E_RNA)
where:
Base-Base interactions energy: -136.406
where: short stacking energy: -59.225
Base-Backbone interact. energy: 0.347
local terms energy: -51.319592
where:
bonds (distance) C4'-P energy: -10.065
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -12.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -184.910821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.910821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.910821 (E_RNA)
where:
Base-Base interactions energy: -127.223
where: short stacking energy: -57.251
Base-Backbone interact. energy: -0.071
local terms energy: -57.615960
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -8.758
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -187.754458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.754458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.754458 (E_RNA)
where:
Base-Base interactions energy: -127.960
where: short stacking energy: -59.197
Base-Backbone interact. energy: -0.000
local terms energy: -59.794353
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -190.832645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.832645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.832645 (E_RNA)
where:
Base-Base interactions energy: -129.660
where: short stacking energy: -60.848
Base-Backbone interact. energy: -0.021
local terms energy: -61.152468
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -175.141495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.141495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.141495 (E_RNA)
where:
Base-Base interactions energy: -122.783
where: short stacking energy: -56.892
Base-Backbone interact. energy: -0.002
local terms energy: -52.356583
where:
bonds (distance) C4'-P energy: -8.507
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -161.906647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.906647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.906647 (E_RNA)
where:
Base-Base interactions energy: -116.954
where: short stacking energy: -39.682
Base-Backbone interact. energy: -0.244
local terms energy: -44.708398
where:
bonds (distance) C4'-P energy: -8.660
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -8.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -161.025851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.025851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.025851 (E_RNA)
where:
Base-Base interactions energy: -112.473
where: short stacking energy: -39.048
Base-Backbone interact. energy: -0.091
local terms energy: -48.461834
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -6.552
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -163.826301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.826301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.826301 (E_RNA)
where:
Base-Base interactions energy: -112.027
where: short stacking energy: -43.866
Base-Backbone interact. energy: -0.044
local terms energy: -51.755709
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -9.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -113.893903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.893903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.893903 (E_RNA)
where:
Base-Base interactions energy: -76.527
where: short stacking energy: -43.575
Base-Backbone interact. energy: 0.270
local terms energy: -37.637450
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -1.480
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: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -192.636950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.636950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.636950 (E_RNA)
where:
Base-Base interactions energy: -128.165
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.015
local terms energy: -64.456529
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -186.691917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.691917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.691917 (E_RNA)
where:
Base-Base interactions energy: -130.309
where: short stacking energy: -57.734
Base-Backbone interact. energy: -0.027
local terms energy: -56.356185
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -13.777
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: 4
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -191.802888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.802888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.802888 (E_RNA)
where:
Base-Base interactions energy: -131.151
where: short stacking energy: -63.235
Base-Backbone interact. energy: 0.315
local terms energy: -60.966359
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -16.003
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: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -181.681032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.681032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.681032 (E_RNA)
where:
Base-Base interactions energy: -126.497
where: short stacking energy: -57.970
Base-Backbone interact. energy: -0.001
local terms energy: -55.182863
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -13.059
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: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -186.007887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.007887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.007887 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.044
local terms energy: -60.302109
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -13.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -179.234831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.234831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.234831 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -54.558
Base-Backbone interact. energy: 0.476
local terms energy: -54.076645
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -7.601
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -163.758664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.758664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.758664 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -50.079
Base-Backbone interact. energy: -0.005
local terms energy: -48.054164
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -2.055
tors. eta vs tors. theta energy: -13.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -171.630791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.630791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.630791 (E_RNA)
where:
Base-Base interactions energy: -128.978
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.033
local terms energy: -42.620447
where:
bonds (distance) C4'-P energy: -8.368
bonds (distance) P-C4' energy: -8.747
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -9.418
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: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -171.383282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.383282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.383282 (E_RNA)
where:
Base-Base interactions energy: -117.366
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.096
local terms energy: -53.921256
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -7.520
tors. eta vs tors. theta energy: -14.085
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -87.629473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.629473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.629473 (E_RNA)
where:
Base-Base interactions energy: -55.386
where: short stacking energy: -12.047
Base-Backbone interact. energy: -0.392
local terms energy: -31.851459
where:
bonds (distance) C4'-P energy: -5.577
bonds (distance) P-C4' energy: -9.650
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -5.260
tors. eta vs tors. theta energy: 1.201
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: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -191.355859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355859 (E_RNA)
where:
Base-Base interactions energy: -128.576
where: short stacking energy: -59.338
Base-Backbone interact. energy: -0.291
local terms energy: -62.488487
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -191.569882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.569882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.569882 (E_RNA)
where:
Base-Base interactions energy: -131.455
where: short stacking energy: -61.651
Base-Backbone interact. energy: -0.014
local terms energy: -60.101117
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -192.506912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.506912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.506912 (E_RNA)
where:
Base-Base interactions energy: -129.958
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.014
local terms energy: -62.535891
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -16.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -186.082309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.082309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.082309 (E_RNA)
where:
Base-Base interactions energy: -127.645
where: short stacking energy: -53.657
Base-Backbone interact. energy: -0.031
local terms energy: -58.406048
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -13.850
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: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -180.431502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431502 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.418
local terms energy: -52.826098
where:
bonds (distance) C4'-P energy: -10.436
bonds (distance) P-C4' energy: -10.916
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -12.018
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: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -177.884764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.884764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.884764 (E_RNA)
where:
Base-Base interactions energy: -118.773
where: short stacking energy: -54.287
Base-Backbone interact. energy: -0.254
local terms energy: -58.857071
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -174.221319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.221319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.221319 (E_RNA)
where:
Base-Base interactions energy: -120.345
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.000
local terms energy: -53.875889
where:
bonds (distance) C4'-P energy: -10.093
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -13.215
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: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -175.615989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.615989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.615989 (E_RNA)
where:
Base-Base interactions energy: -124.410
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.030
local terms energy: -51.176514
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -1.137
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -165.113980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.113980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.113980 (E_RNA)
where:
Base-Base interactions energy: -112.460
where: short stacking energy: -49.995
Base-Backbone interact. energy: -0.017
local terms energy: -52.637727
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -11.199
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -14.405
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: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -70.969897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.969897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.969897 (E_RNA)
where:
Base-Base interactions energy: -35.878
where: short stacking energy: -17.560
Base-Backbone interact. energy: -0.658
local terms energy: -34.433520
where:
bonds (distance) C4'-P energy: -4.966
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -8.953
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -189.236621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.236621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.236621 (E_RNA)
where:
Base-Base interactions energy: -125.955
where: short stacking energy: -58.377
Base-Backbone interact. energy: -0.000
local terms energy: -63.282056
where:
bonds (distance) C4'-P energy: -10.714
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -15.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -192.952298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.952298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.952298 (E_RNA)
where:
Base-Base interactions energy: -130.585
where: short stacking energy: -60.860
Base-Backbone interact. energy: -0.011
local terms energy: -62.356493
where:
bonds (distance) C4'-P energy: -11.609
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -194.024486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.024486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.024486 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.002
local terms energy: -59.318030
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -180.559732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.559732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.559732 (E_RNA)
where:
Base-Base interactions energy: -121.206
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.000
local terms energy: -59.353806
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -182.028241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.028241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.028241 (E_RNA)
where:
Base-Base interactions energy: -124.827
where: short stacking energy: -46.355
Base-Backbone interact. energy: -0.321
local terms energy: -56.879987
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.479
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -10.208
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: 334
Temperature: 1.150000
Total energy: -182.405962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.405962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.405962 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -60.025
Base-Backbone interact. energy: -0.101
local terms energy: -52.941286
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -10.676
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -14.233
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: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -178.213813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.213813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.213813 (E_RNA)
where:
Base-Base interactions energy: -127.082
where: short stacking energy: -55.784
Base-Backbone interact. energy: -0.006
local terms energy: -51.125685
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -7.470
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -167.535433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.535433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.535433 (E_RNA)
where:
Base-Base interactions energy: -116.118
where: short stacking energy: -49.516
Base-Backbone interact. energy: -0.038
local terms energy: -51.379507
where:
bonds (distance) C4'-P energy: -6.976
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -10.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -162.992645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.992645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.992645 (E_RNA)
where:
Base-Base interactions energy: -111.803
where: short stacking energy: -51.317
Base-Backbone interact. energy: 0.637
local terms energy: -51.825960
where:
bonds (distance) C4'-P energy: -11.071
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -11.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -65.548488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.548488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.548488 (E_RNA)
where:
Base-Base interactions energy: -29.674
where: short stacking energy: -18.137
Base-Backbone interact. energy: -0.097
local terms energy: -35.776952
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -191.893643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.893643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.893643 (E_RNA)
where:
Base-Base interactions energy: -132.817
where: short stacking energy: -60.081
Base-Backbone interact. energy: -0.000
local terms energy: -59.076844
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -190.635331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.635331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.635331 (E_RNA)
where:
Base-Base interactions energy: -130.675
where: short stacking energy: -62.293
Base-Backbone interact. energy: -0.004
local terms energy: -59.956918
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -16.784
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: 335
Temperature: 1.000000
Total energy: -191.667806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.667806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.667806 (E_RNA)
where:
Base-Base interactions energy: -131.381
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.008
local terms energy: -60.278449
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -187.166703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.166703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.166703 (E_RNA)
where:
Base-Base interactions energy: -130.056
where: short stacking energy: -58.492
Base-Backbone interact. energy: -0.047
local terms energy: -57.064261
where:
bonds (distance) C4'-P energy: -12.325
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -9.480
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -178.363209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.363209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.363209 (E_RNA)
where:
Base-Base interactions energy: -121.577
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.006
local terms energy: -56.780878
where:
bonds (distance) C4'-P energy: -10.813
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -189.290034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290034 (E_RNA)
where:
Base-Base interactions energy: -129.416
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.000
local terms energy: -59.873947
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -164.244426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.244426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.244426 (E_RNA)
where:
Base-Base interactions energy: -109.177
where: short stacking energy: -46.126
Base-Backbone interact. energy: -0.059
local terms energy: -55.008711
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -11.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -177.660888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.660888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.660888 (E_RNA)
where:
Base-Base interactions energy: -126.445
where: short stacking energy: -59.807
Base-Backbone interact. energy: -0.002
local terms energy: -51.214279
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -174.615905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.615905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.615905 (E_RNA)
where:
Base-Base interactions energy: -121.784
where: short stacking energy: -54.822
Base-Backbone interact. energy: -0.004
local terms energy: -52.827778
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -6.568
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -15.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -81.950854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.950854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.950854 (E_RNA)
where:
Base-Base interactions energy: -41.697
where: short stacking energy: -27.304
Base-Backbone interact. energy: -0.004
local terms energy: -40.250007
where:
bonds (distance) C4'-P energy: -7.936
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -5.680
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -192.799329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.799329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.799329 (E_RNA)
where:
Base-Base interactions energy: -130.011
where: short stacking energy: -60.554
Base-Backbone interact. energy: -0.092
local terms energy: -62.697136
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -190.849174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.849174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.849174 (E_RNA)
where:
Base-Base interactions energy: -129.710
where: short stacking energy: -62.150
Base-Backbone interact. energy: -0.057
local terms energy: -61.082037
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -187.372994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.372994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.372994 (E_RNA)
where:
Base-Base interactions energy: -131.178
where: short stacking energy: -60.092
Base-Backbone interact. energy: 0.470
local terms energy: -56.664502
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -182.637790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.637790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.637790 (E_RNA)
where:
Base-Base interactions energy: -128.225
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.132
local terms energy: -54.280141
where:
bonds (distance) C4'-P energy: -5.047
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -11.415
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: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -170.660726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660726 (E_RNA)
where:
Base-Base interactions energy: -118.861
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.076
local terms energy: -51.724303
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -9.679
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -11.249
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: 6, replica: 8
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -176.046635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.046635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.046635 (E_RNA)
where:
Base-Base interactions energy: -128.439
where: short stacking energy: -49.994
Base-Backbone interact. energy: -0.040
local terms energy: -47.567229
where:
bonds (distance) C4'-P energy: -5.967
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -12.027
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: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -180.270933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.270933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.270933 (E_RNA)
where:
Base-Base interactions energy: -126.158
where: short stacking energy: -53.614
Base-Backbone interact. energy: -0.019
local terms energy: -54.094650
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -3.852
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: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -164.312654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.312654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.312654 (E_RNA)
where:
Base-Base interactions energy: -117.264
where: short stacking energy: -49.022
Base-Backbone interact. energy: -0.030
local terms energy: -47.019302
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -11.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -160.236032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.236032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.236032 (E_RNA)
where:
Base-Base interactions energy: -108.935
where: short stacking energy: -47.630
Base-Backbone interact. energy: -0.084
local terms energy: -51.216531
where:
bonds (distance) C4'-P energy: -9.286
bonds (distance) P-C4' energy: -9.274
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -7.758
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: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -68.976622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.976622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.976622 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -13.287
Base-Backbone interact. energy: -0.110
local terms energy: -32.773476
where:
bonds (distance) C4'-P energy: -6.698
bonds (distance) P-C4' energy: -8.492
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: 2.484
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: 4
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -198.222671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.222671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.222671 (E_RNA)
where:
Base-Base interactions energy: -132.939
where: short stacking energy: -61.703
Base-Backbone interact. energy: -0.006
local terms energy: -65.278232
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -190.509223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.509223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.509223 (E_RNA)
where:
Base-Base interactions energy: -129.970
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.016
local terms energy: -60.522948
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -193.189732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.189732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.189732 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -59.985
Base-Backbone interact. energy: -0.768
local terms energy: -61.083424
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -184.748904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.748904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.748904 (E_RNA)
where:
Base-Base interactions energy: -129.515
where: short stacking energy: -61.313
Base-Backbone interact. energy: 0.734
local terms energy: -55.967917
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -16.554
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: 5, replica: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -174.145165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.145165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.145165 (E_RNA)
where:
Base-Base interactions energy: -118.217
where: short stacking energy: -47.850
Base-Backbone interact. energy: -0.056
local terms energy: -55.872231
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -178.707983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.707983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.707983 (E_RNA)
where:
Base-Base interactions energy: -118.859
where: short stacking energy: -47.908
Base-Backbone interact. energy: -0.605
local terms energy: -59.244836
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -13.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -173.467647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.467647 (E_RNA)
where:
Base-Base interactions energy: -114.341
where: short stacking energy: -51.786
Base-Backbone interact. energy: -0.003
local terms energy: -59.123967
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -13.171
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: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -169.862731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.862731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.862731 (E_RNA)
where:
Base-Base interactions energy: -119.422
where: short stacking energy: -53.800
Base-Backbone interact. energy: -0.152
local terms energy: -50.288892
where:
bonds (distance) C4'-P energy: -4.485
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -174.342773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.342773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.342773 (E_RNA)
where:
Base-Base interactions energy: -117.247
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.043
local terms energy: -57.052638
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -12.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -68.149758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.149758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.149758 (E_RNA)
where:
Base-Base interactions energy: -30.951
where: short stacking energy: -21.113
Base-Backbone interact. energy: -0.134
local terms energy: -37.064507
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -7.956
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: 1.088
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: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -193.148152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.148152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.148152 (E_RNA)
where:
Base-Base interactions energy: -127.720
where: short stacking energy: -60.721
Base-Backbone interact. energy: -0.001
local terms energy: -65.427409
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -16.883
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -192.621525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.621525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.621525 (E_RNA)
where:
Base-Base interactions energy: -132.515
where: short stacking energy: -62.732
Base-Backbone interact. energy: 0.538
local terms energy: -60.644575
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -8.589
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -18.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -191.774066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774066 (E_RNA)
where:
Base-Base interactions energy: -130.184
where: short stacking energy: -62.163
Base-Backbone interact. energy: 1.907
local terms energy: -63.497324
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -17.416
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: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -179.645184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645184 (E_RNA)
where:
Base-Base interactions energy: -123.534
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.023
local terms energy: -56.088137
where:
bonds (distance) C4'-P energy: -10.950
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -5.970
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -185.352423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.352423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.352423 (E_RNA)
where:
Base-Base interactions energy: -125.664
where: short stacking energy: -55.259
Base-Backbone interact. energy: 0.876
local terms energy: -60.564812
where:
bonds (distance) C4'-P energy: -9.385
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -15.983
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: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -174.145200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.145200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.145200 (E_RNA)
where:
Base-Base interactions energy: -121.192
where: short stacking energy: -54.555
Base-Backbone interact. energy: -0.166
local terms energy: -52.787306
where:
bonds (distance) C4'-P energy: -9.418
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -175.694006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.694006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.694006 (E_RNA)
where:
Base-Base interactions energy: -124.844
where: short stacking energy: -57.394
Base-Backbone interact. energy: -0.085
local terms energy: -50.764978
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -6.318
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -14.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -177.581522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.581522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.581522 (E_RNA)
where:
Base-Base interactions energy: -124.765
where: short stacking energy: -55.142
Base-Backbone interact. energy: -0.050
local terms energy: -52.767135
where:
bonds (distance) C4'-P energy: -7.324
bonds (distance) P-C4' energy: -7.931
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -16.378
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: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -166.865179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.865179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.865179 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -48.990
Base-Backbone interact. energy: -0.071
local terms energy: -53.229320
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -71.575659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.575659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.575659 (E_RNA)
where:
Base-Base interactions energy: -33.494
where: short stacking energy: -32.589
Base-Backbone interact. energy: 0.241
local terms energy: -38.322927
where:
bonds (distance) C4'-P energy: -7.809
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -2.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -191.078129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.078129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.078129 (E_RNA)
where:
Base-Base interactions energy: -133.604
where: short stacking energy: -62.288
Base-Backbone interact. energy: 1.050
local terms energy: -58.524117
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -14.483
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: 10
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -192.623214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.623214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.623214 (E_RNA)
where:
Base-Base interactions energy: -131.377
where: short stacking energy: -61.975
Base-Backbone interact. energy: 1.302
local terms energy: -62.548508
where:
bonds (distance) C4'-P energy: -8.209
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -17.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -184.146577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.146577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.146577 (E_RNA)
where:
Base-Base interactions energy: -126.930
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.004
local terms energy: -57.212524
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -11.078
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -13.088
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: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -180.958071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.958071 (E_RNA)
where:
Base-Base interactions energy: -122.345
where: short stacking energy: -55.695
Base-Backbone interact. energy: -0.022
local terms energy: -58.591050
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -170.039879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.039879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.039879 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -45.903
Base-Backbone interact. energy: -0.017
local terms energy: -56.146031
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -10.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -170.905273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.905273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.905273 (E_RNA)
where:
Base-Base interactions energy: -118.116
where: short stacking energy: -46.206
Base-Backbone interact. energy: -0.176
local terms energy: -52.612835
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -11.495
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: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -177.775866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.775866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775866 (E_RNA)
where:
Base-Base interactions energy: -126.021
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.009
local terms energy: -51.745375
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -9.003
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: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -161.357955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.357955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.357955 (E_RNA)
where:
Base-Base interactions energy: -114.843
where: short stacking energy: -44.574
Base-Backbone interact. energy: -0.002
local terms energy: -46.513052
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -8.743
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -3.120
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -171.513369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.513369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.513369 (E_RNA)
where:
Base-Base interactions energy: -113.308
where: short stacking energy: -50.993
Base-Backbone interact. energy: -0.025
local terms energy: -58.180959
where:
bonds (distance) C4'-P energy: -11.480
bonds (distance) P-C4' energy: -11.241
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -14.973
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: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -68.692836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.692836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.692836 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -29.083
Base-Backbone interact. energy: -0.022
local terms energy: -39.109117
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -9.878
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -3.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -195.632860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.632860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.632860 (E_RNA)
where:
Base-Base interactions energy: -131.592
where: short stacking energy: -60.335
Base-Backbone interact. energy: -0.001
local terms energy: -64.039212
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -15.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -185.092036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.092036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.092036 (E_RNA)
where:
Base-Base interactions energy: -126.527
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.021
local terms energy: -58.543745
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -14.187
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: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -190.798563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.798563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.798563 (E_RNA)
where:
Base-Base interactions energy: -128.577
where: short stacking energy: -60.367
Base-Backbone interact. energy: -0.511
local terms energy: -61.711105
where:
bonds (distance) C4'-P energy: -10.618
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -18.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -185.740701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.740701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.740701 (E_RNA)
where:
Base-Base interactions energy: -126.278
where: short stacking energy: -54.713
Base-Backbone interact. energy: -0.002
local terms energy: -59.460592
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -185.717489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.717489 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.155
local terms energy: -54.303425
where:
bonds (distance) C4'-P energy: -7.634
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -185.862981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.862981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.862981 (E_RNA)
where:
Base-Base interactions energy: -125.634
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.218
local terms energy: -60.010954
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -15.688
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: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -173.018384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.018384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.018384 (E_RNA)
where:
Base-Base interactions energy: -119.768
where: short stacking energy: -48.251
Base-Backbone interact. energy: -0.270
local terms energy: -52.979826
where:
bonds (distance) C4'-P energy: -8.396
bonds (distance) P-C4' energy: -11.408
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -11.152
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: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -171.671653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.671653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.671653 (E_RNA)
where:
Base-Base interactions energy: -120.233
where: short stacking energy: -54.152
Base-Backbone interact. energy: -0.005
local terms energy: -51.433454
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -8.815
flat angles C4'-P-C4' energy: -9.435
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -165.331785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.331785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.331785 (E_RNA)
where:
Base-Base interactions energy: -111.471
where: short stacking energy: -44.106
Base-Backbone interact. energy: -0.665
local terms energy: -53.195715
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -9.282
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -73.401306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.401306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.401306 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -19.604
Base-Backbone interact. energy: -0.052
local terms energy: -37.447271
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -8.171
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -198.959579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.959579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.959579 (E_RNA)
where:
Base-Base interactions energy: -133.902
where: short stacking energy: -62.267
Base-Backbone interact. energy: -0.002
local terms energy: -65.055061
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -18.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -192.036604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.036604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.036604 (E_RNA)
where:
Base-Base interactions energy: -130.840
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.010
local terms energy: -61.186680
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -193.545297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.545297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.545297 (E_RNA)
where:
Base-Base interactions energy: -131.604
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.001
local terms energy: -61.940312
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -183.511552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.511552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.511552 (E_RNA)
where:
Base-Base interactions energy: -125.636
where: short stacking energy: -50.246
Base-Backbone interact. energy: -0.264
local terms energy: -57.612081
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.759
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -183.024894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.024894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.024894 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.000
local terms energy: -58.000861
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -9.892
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -177.846330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.846330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.846330 (E_RNA)
where:
Base-Base interactions energy: -123.464
where: short stacking energy: -52.529
Base-Backbone interact. energy: 0.792
local terms energy: -55.174458
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -178.713788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.713788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.713788 (E_RNA)
where:
Base-Base interactions energy: -127.643
where: short stacking energy: -55.888
Base-Backbone interact. energy: -0.024
local terms energy: -51.046825
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -169.995441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.995441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.995441 (E_RNA)
where:
Base-Base interactions energy: -120.516
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.069
local terms energy: -49.410511
where:
bonds (distance) C4'-P energy: -8.210
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -9.684
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -165.485800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.485800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.485800 (E_RNA)
where:
Base-Base interactions energy: -117.885
where: short stacking energy: -47.961
Base-Backbone interact. energy: -0.083
local terms energy: -47.518364
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -11.507
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: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -75.504904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.504904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.504904 (E_RNA)
where:
Base-Base interactions energy: -22.966
where: short stacking energy: -22.966
Base-Backbone interact. energy: -0.000
local terms energy: -52.538550
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.246
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: 1, replica: 10
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -191.521678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.521678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.521678 (E_RNA)
where:
Base-Base interactions energy: -129.313
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.004
local terms energy: -62.205089
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -190.110421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.110421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.110421 (E_RNA)
where:
Base-Base interactions energy: -128.057
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.064
local terms energy: -61.989391
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -17.384
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: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -192.556211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.556211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.556211 (E_RNA)
where:
Base-Base interactions energy: -138.776
where: short stacking energy: -56.743
Base-Backbone interact. energy: -0.807
local terms energy: -52.973170
where:
bonds (distance) C4'-P energy: -8.968
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -11.385
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: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -179.645093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.645093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645093 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -56.367
Base-Backbone interact. energy: -0.059
local terms energy: -54.589459
where:
bonds (distance) C4'-P energy: -8.223
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -181.034328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.034328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.034328 (E_RNA)
where:
Base-Base interactions energy: -123.133
where: short stacking energy: -53.188
Base-Backbone interact. energy: -0.002
local terms energy: -57.899851
where:
bonds (distance) C4'-P energy: -9.099
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -183.563187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.563187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.563187 (E_RNA)
where:
Base-Base interactions energy: -128.821
where: short stacking energy: -61.370
Base-Backbone interact. energy: -0.001
local terms energy: -54.740990
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -13.722
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: 7
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -178.002034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.002034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.002034 (E_RNA)
where:
Base-Base interactions energy: -128.856
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.001
local terms energy: -49.145499
where:
bonds (distance) C4'-P energy: -6.591
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -13.628
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: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -168.770258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.770258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.770258 (E_RNA)
where:
Base-Base interactions energy: -117.593
where: short stacking energy: -44.183
Base-Backbone interact. energy: 1.526
local terms energy: -52.703550
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -168.463343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.463343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.463343 (E_RNA)
where:
Base-Base interactions energy: -120.579
where: short stacking energy: -53.157
Base-Backbone interact. energy: -0.123
local terms energy: -47.761322
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -7.388
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -12.317
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: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -66.840559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.840559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.840559 (E_RNA)
where:
Base-Base interactions energy: -24.641
where: short stacking energy: -24.641
Base-Backbone interact. energy: -0.022
local terms energy: -42.176851
where:
bonds (distance) C4'-P energy: -5.741
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -5.995
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -191.196282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.196282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.196282 (E_RNA)
where:
Base-Base interactions energy: -127.678
where: short stacking energy: -55.293
Base-Backbone interact. energy: -0.005
local terms energy: -63.513243
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -192.458392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.458392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.458392 (E_RNA)
where:
Base-Base interactions energy: -133.262
where: short stacking energy: -56.748
Base-Backbone interact. energy: 0.728
local terms energy: -59.923834
where:
bonds (distance) C4'-P energy: -9.772
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -192.616016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.616016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.616016 (E_RNA)
where:
Base-Base interactions energy: -127.624
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.016
local terms energy: -64.976057
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -183.433867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.433867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.433867 (E_RNA)
where:
Base-Base interactions energy: -129.608
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.001
local terms energy: -53.824568
where:
bonds (distance) C4'-P energy: -11.314
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -9.832
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -10.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -186.942231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.942231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.942231 (E_RNA)
where:
Base-Base interactions energy: -130.003
where: short stacking energy: -57.993
Base-Backbone interact. energy: -0.005
local terms energy: -56.933819
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -7.183
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: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -177.961438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.961438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.961438 (E_RNA)
where:
Base-Base interactions energy: -117.816
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.008
local terms energy: -60.136969
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -13.892
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: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -169.885593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.885593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.885593 (E_RNA)
where:
Base-Base interactions energy: -125.259
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.105
local terms energy: -44.521755
where:
bonds (distance) C4'-P energy: -6.126
bonds (distance) P-C4' energy: -10.755
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -167.085966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.085966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.085966 (E_RNA)
where:
Base-Base interactions energy: -110.988
where: short stacking energy: -49.055
Base-Backbone interact. energy: -0.016
local terms energy: -56.081021
where:
bonds (distance) C4'-P energy: -8.971
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -158.451343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.451343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.451343 (E_RNA)
where:
Base-Base interactions energy: -109.415
where: short stacking energy: -40.056
Base-Backbone interact. energy: -0.104
local terms energy: -48.932344
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -8.051
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -77.388902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.388902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.388902 (E_RNA)
where:
Base-Base interactions energy: -39.674
where: short stacking energy: -26.535
Base-Backbone interact. energy: -0.635
local terms energy: -37.079779
where:
bonds (distance) C4'-P energy: -4.526
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -4.410
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: 344
Temperature: 0.900000
Total energy: -193.285867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.285867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.285867 (E_RNA)
where:
Base-Base interactions energy: -135.799
where: short stacking energy: -51.608
Base-Backbone interact. energy: -0.840
local terms energy: -56.646859
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -11.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -189.130662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.130662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.130662 (E_RNA)
where:
Base-Base interactions energy: -127.955
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.001
local terms energy: -61.175168
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -186.273816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.273816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.273816 (E_RNA)
where:
Base-Base interactions energy: -125.575
where: short stacking energy: -58.530
Base-Backbone interact. energy: -0.001
local terms energy: -60.697172
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -16.143
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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -189.391463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.391463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.391463 (E_RNA)
where:
Base-Base interactions energy: -128.605
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.041
local terms energy: -60.744609
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -182.372528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.372528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.372528 (E_RNA)
where:
Base-Base interactions energy: -127.584
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.603
local terms energy: -54.185903
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -185.940042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.940042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.940042 (E_RNA)
where:
Base-Base interactions energy: -126.566
where: short stacking energy: -59.029
Base-Backbone interact. energy: -0.003
local terms energy: -59.371557
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -15.521
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: 8
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -170.789089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.789089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.789089 (E_RNA)
where:
Base-Base interactions energy: -114.125
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.122
local terms energy: -56.542124
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -9.622
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -14.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -162.864534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.864534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.864534 (E_RNA)
where:
Base-Base interactions energy: -109.573
where: short stacking energy: -45.622
Base-Backbone interact. energy: -0.092
local terms energy: -53.200257
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -171.805192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.805192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.805192 (E_RNA)
where:
Base-Base interactions energy: -119.218
where: short stacking energy: -53.298
Base-Backbone interact. energy: -0.003
local terms energy: -52.584959
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -61.004320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.004320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.004320 (E_RNA)
where:
Base-Base interactions energy: -23.231
where: short stacking energy: -19.741
Base-Backbone interact. energy: -0.110
local terms energy: -37.663999
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -2.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -193.773419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.773419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773419 (E_RNA)
where:
Base-Base interactions energy: -134.930
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.638
local terms energy: -58.205272
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -9.812
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -189.263031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.263031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.263031 (E_RNA)
where:
Base-Base interactions energy: -127.929
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.042
local terms energy: -61.291990
where:
bonds (distance) C4'-P energy: -12.337
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -190.706029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.706029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.706029 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -62.875
Base-Backbone interact. energy: -0.018
local terms energy: -60.361658
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -181.533361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.533361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.533361 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -54.956
Base-Backbone interact. energy: -0.077
local terms energy: -55.266311
where:
bonds (distance) C4'-P energy: -7.530
bonds (distance) P-C4' energy: -14.217
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -177.533394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.533394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.533394 (E_RNA)
where:
Base-Base interactions energy: -122.134
where: short stacking energy: -50.412
Base-Backbone interact. energy: -0.125
local terms energy: -55.274546
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -8.923
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -13.690
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: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -175.676463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.676463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.676463 (E_RNA)
where:
Base-Base interactions energy: -122.299
where: short stacking energy: -55.779
Base-Backbone interact. energy: -0.000
local terms energy: -53.377100
where:
bonds (distance) C4'-P energy: -7.812
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -7.845
tors. eta vs tors. theta energy: -15.820
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -166.564687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.564687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.564687 (E_RNA)
where:
Base-Base interactions energy: -119.761
where: short stacking energy: -52.243
Base-Backbone interact. energy: -0.002
local terms energy: -46.801794
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -7.371
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -11.097
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -164.636094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.636094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.636094 (E_RNA)
where:
Base-Base interactions energy: -111.967
where: short stacking energy: -48.001
Base-Backbone interact. energy: -0.135
local terms energy: -52.533767
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -13.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -164.739051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.739051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.739051 (E_RNA)
where:
Base-Base interactions energy: -110.533
where: short stacking energy: -46.519
Base-Backbone interact. energy: -0.018
local terms energy: -54.187464
where:
bonds (distance) C4'-P energy: -7.457
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -13.360
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: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -67.362168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.362168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.362168 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -13.999
Base-Backbone interact. energy: -0.454
local terms energy: -26.579333
where:
bonds (distance) C4'-P energy: -5.415
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -5.621
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: 6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -198.767575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.767575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.767575 (E_RNA)
where:
Base-Base interactions energy: -140.280
where: short stacking energy: -61.927
Base-Backbone interact. energy: -0.000
local terms energy: -58.487153
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -17.040
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: 346
Temperature: 0.950000
Total energy: -191.236452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.236452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.236452 (E_RNA)
where:
Base-Base interactions energy: -134.159
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.019
local terms energy: -57.057974
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -183.011156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.011156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.011156 (E_RNA)
where:
Base-Base interactions energy: -128.154
where: short stacking energy: -60.576
Base-Backbone interact. energy: -0.000
local terms energy: -54.856499
where:
bonds (distance) C4'-P energy: -8.884
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.775
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -13.400
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: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -181.770787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.770787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.770787 (E_RNA)
where:
Base-Base interactions energy: -127.824
where: short stacking energy: -58.237
Base-Backbone interact. energy: -0.002
local terms energy: -53.944390
where:
bonds (distance) C4'-P energy: -7.927
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.071
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: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -182.003887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.003887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.003887 (E_RNA)
where:
Base-Base interactions energy: -126.173
where: short stacking energy: -51.368
Base-Backbone interact. energy: -0.003
local terms energy: -55.827666
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -9.014
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: 1
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -171.795852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.795852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.795852 (E_RNA)
where:
Base-Base interactions energy: -117.566
where: short stacking energy: -47.669
Base-Backbone interact. energy: -0.371
local terms energy: -53.858187
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -11.580
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: 4
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -182.730573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.730573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.730573 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.113
local terms energy: -57.390997
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -14.373
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: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -165.876225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.876225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.876225 (E_RNA)
where:
Base-Base interactions energy: -111.425
where: short stacking energy: -45.696
Base-Backbone interact. energy: -0.141
local terms energy: -54.309425
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -11.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -160.860640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.860640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.860640 (E_RNA)
where:
Base-Base interactions energy: -110.711
where: short stacking energy: -47.220
Base-Backbone interact. energy: -0.020
local terms energy: -50.130019
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -8.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -69.220534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.220534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.220534 (E_RNA)
where:
Base-Base interactions energy: -39.081
where: short stacking energy: -25.118
Base-Backbone interact. energy: -0.870
local terms energy: -29.269513
where:
bonds (distance) C4'-P energy: -8.143
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -7.515
flat angles P-C4'-P energy: -2.923
tors. eta vs tors. theta energy: -1.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -193.711092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.711092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.711092 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -63.301
Base-Backbone interact. energy: -0.002
local terms energy: -64.593826
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -17.867
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: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -192.940907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.940907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.940907 (E_RNA)
where:
Base-Base interactions energy: -135.355
where: short stacking energy: -63.874
Base-Backbone interact. energy: -0.003
local terms energy: -57.582868
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -14.406
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: 347
Temperature: 1.000000
Total energy: -186.863952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.863952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.863952 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.630
local terms energy: -53.222216
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -184.977940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.977940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.977940 (E_RNA)
where:
Base-Base interactions energy: -127.318
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.459
local terms energy: -57.200761
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -10.860
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -186.328398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328398 (E_RNA)
where:
Base-Base interactions energy: -132.377
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.009
local terms energy: -53.941767
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -13.781
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: 4
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -174.493918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.493918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.493918 (E_RNA)
where:
Base-Base interactions energy: -116.497
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.373
local terms energy: -57.624469
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -12.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -173.614690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.614690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.614690 (E_RNA)
where:
Base-Base interactions energy: -122.280
where: short stacking energy: -47.761
Base-Backbone interact. energy: -0.003
local terms energy: -51.331967
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -169.426325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.426325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.426325 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -50.170
Base-Backbone interact. energy: -0.024
local terms energy: -53.787833
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -6.678
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -14.175
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: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -164.607189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.607189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.607189 (E_RNA)
where:
Base-Base interactions energy: -108.760
where: short stacking energy: -45.964
Base-Backbone interact. energy: -0.487
local terms energy: -55.359618
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -11.712
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: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -66.759789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.759789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.759789 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -20.005
Base-Backbone interact. energy: -0.093
local terms energy: -46.637291
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -197.056796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.056796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.056796 (E_RNA)
where:
Base-Base interactions energy: -133.101
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.012
local terms energy: -63.943768
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -16.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -181.590784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.590784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.590784 (E_RNA)
where:
Base-Base interactions energy: -124.926
where: short stacking energy: -51.728
Base-Backbone interact. energy: -0.012
local terms energy: -56.652339
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -187.962022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.962022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.962022 (E_RNA)
where:
Base-Base interactions energy: -136.828
where: short stacking energy: -49.286
Base-Backbone interact. energy: -0.468
local terms energy: -50.665908
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -6.851
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -11.422
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: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -183.766634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.766634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.766634 (E_RNA)
where:
Base-Base interactions energy: -123.040
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.216
local terms energy: -60.510357
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -12.822
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: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -177.192329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192329 (E_RNA)
where:
Base-Base interactions energy: -120.195
where: short stacking energy: -51.400
Base-Backbone interact. energy: -0.069
local terms energy: -56.928310
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -11.763
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: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -172.325749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.325749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.325749 (E_RNA)
where:
Base-Base interactions energy: -121.636
where: short stacking energy: -51.018
Base-Backbone interact. energy: -1.356
local terms energy: -49.333285
where:
bonds (distance) C4'-P energy: -8.222
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -6.383
tors. eta vs tors. theta energy: -12.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -170.430768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.430768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.430768 (E_RNA)
where:
Base-Base interactions energy: -121.869
where: short stacking energy: -48.549
Base-Backbone interact. energy: 0.983
local terms energy: -49.544352
where:
bonds (distance) C4'-P energy: -7.199
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -9.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -173.743906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.743906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.743906 (E_RNA)
where:
Base-Base interactions energy: -116.268
where: short stacking energy: -52.922
Base-Backbone interact. energy: -0.008
local terms energy: -57.468252
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.439
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -11.822
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: 9, replica: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -168.006409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.006409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.006409 (E_RNA)
where:
Base-Base interactions energy: -113.037
where: short stacking energy: -50.087
Base-Backbone interact. energy: -0.011
local terms energy: -54.957669
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -68.576825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.576825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.576825 (E_RNA)
where:
Base-Base interactions energy: -27.602
where: short stacking energy: -27.602
Base-Backbone interact. energy: -0.310
local terms energy: -40.664136
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -4.992
flat angles P-C4'-P energy: -6.427
tors. eta vs tors. theta energy: -4.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -196.723087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.723087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.723087 (E_RNA)
where:
Base-Base interactions energy: -134.181
where: short stacking energy: -61.336
Base-Backbone interact. energy: -0.002
local terms energy: -62.539276
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -188.513237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513237 (E_RNA)
where:
Base-Base interactions energy: -133.083
where: short stacking energy: -53.298
Base-Backbone interact. energy: -0.117
local terms energy: -55.312861
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -189.312424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.312424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.312424 (E_RNA)
where:
Base-Base interactions energy: -129.328
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.000
local terms energy: -59.984097
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -185.611373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.611373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.611373 (E_RNA)
where:
Base-Base interactions energy: -129.184
where: short stacking energy: -56.881
Base-Backbone interact. energy: -0.000
local terms energy: -56.426970
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.167
tors. eta vs tors. theta energy: -16.179
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -172.840272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.840272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.840272 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -56.845
Base-Backbone interact. energy: -0.075
local terms energy: -46.421366
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -5.981
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -178.415175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.415175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.415175 (E_RNA)
where:
Base-Base interactions energy: -121.361
where: short stacking energy: -59.523
Base-Backbone interact. energy: -0.002
local terms energy: -57.052244
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -16.079
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: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -182.198795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.198795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.198795 (E_RNA)
where:
Base-Base interactions energy: -126.405
where: short stacking energy: -55.944
Base-Backbone interact. energy: -0.002
local terms energy: -55.791712
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -12.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -166.128258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.128258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.128258 (E_RNA)
where:
Base-Base interactions energy: -116.273
where: short stacking energy: -54.784
Base-Backbone interact. energy: -0.007
local terms energy: -49.847618
where:
bonds (distance) C4'-P energy: -6.685
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.962
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: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -162.842114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.842114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.842114 (E_RNA)
where:
Base-Base interactions energy: -112.449
where: short stacking energy: -45.817
Base-Backbone interact. energy: -0.853
local terms energy: -49.540751
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -11.517
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -70.853047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.853047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.853047 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -20.881
Base-Backbone interact. energy: 0.259
local terms energy: -36.929539
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -6.835
flat angles P-C4'-P energy: -8.618
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -191.800606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.800606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.800606 (E_RNA)
where:
Base-Base interactions energy: -132.801
where: short stacking energy: -56.374
Base-Backbone interact. energy: -0.089
local terms energy: -58.910709
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -10.516
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -192.600012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.600012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.600012 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.002
local terms energy: -63.073528
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -186.265926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.265926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.265926 (E_RNA)
where:
Base-Base interactions energy: -129.604
where: short stacking energy: -59.042
Base-Backbone interact. energy: -0.000
local terms energy: -56.661648
where:
bonds (distance) C4'-P energy: -7.953
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -186.772358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.772358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.772358 (E_RNA)
where:
Base-Base interactions energy: -126.679
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.125
local terms energy: -59.968338
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -181.644557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.644557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.644557 (E_RNA)
where:
Base-Base interactions energy: -126.310
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.023
local terms energy: -55.311427
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -7.788
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -15.264
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: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -180.465904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.465904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.465904 (E_RNA)
where:
Base-Base interactions energy: -131.126
where: short stacking energy: -47.441
Base-Backbone interact. energy: -0.701
local terms energy: -48.638393
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -7.867
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -170.605896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.605896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.605896 (E_RNA)
where:
Base-Base interactions energy: -115.170
where: short stacking energy: -46.215
Base-Backbone interact. energy: -0.008
local terms energy: -55.427401
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -11.286
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: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -166.522219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.522219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.522219 (E_RNA)
where:
Base-Base interactions energy: -118.235
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.002
local terms energy: -48.285402
where:
bonds (distance) C4'-P energy: -10.122
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -10.337
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -10.893
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: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -172.812609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.812609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.812609 (E_RNA)
where:
Base-Base interactions energy: -121.662
where: short stacking energy: -50.491
Base-Backbone interact. energy: -0.745
local terms energy: -50.404706
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -6.527
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -91.978645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.978645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.978645 (E_RNA)
where:
Base-Base interactions energy: -63.717
where: short stacking energy: -32.124
Base-Backbone interact. energy: 0.965
local terms energy: -29.227134
where:
bonds (distance) C4'-P energy: -4.876
bonds (distance) P-C4' energy: -8.753
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: -3.532
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: 351
Temperature: 0.900000
Total energy: -192.545097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.545097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.545097 (E_RNA)
where:
Base-Base interactions energy: -133.347
where: short stacking energy: -57.311
Base-Backbone interact. energy: -0.162
local terms energy: -59.036100
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -191.107091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.107091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.107091 (E_RNA)
where:
Base-Base interactions energy: -126.725
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.001
local terms energy: -64.380803
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -183.143248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.143248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.143248 (E_RNA)
where:
Base-Base interactions energy: -131.261
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.000
local terms energy: -51.882014
where:
bonds (distance) C4'-P energy: -7.944
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -13.861
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: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -182.717848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.717848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.717848 (E_RNA)
where:
Base-Base interactions energy: -122.785
where: short stacking energy: -53.007
Base-Backbone interact. energy: -0.000
local terms energy: -59.933157
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -13.572
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: 351
Temperature: 1.100000
Total energy: -179.100192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.100192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.100192 (E_RNA)
where:
Base-Base interactions energy: -121.777
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.018
local terms energy: -57.305967
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -11.436
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -13.431
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -184.834708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.834708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.834708 (E_RNA)
where:
Base-Base interactions energy: -128.330
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.134
local terms energy: -56.370749
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -12.292
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: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -175.711893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.711893 (E_RNA)
where:
Base-Base interactions energy: -127.633
where: short stacking energy: -58.632
Base-Backbone interact. energy: -0.028
local terms energy: -48.050927
where:
bonds (distance) C4'-P energy: -5.534
bonds (distance) P-C4' energy: -7.697
flat angles C4'-P-C4' energy: -10.228
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -15.733
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: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -166.858821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.858821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.858821 (E_RNA)
where:
Base-Base interactions energy: -118.725
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.000
local terms energy: -48.133558
where:
bonds (distance) C4'-P energy: -7.005
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -12.239
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: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -167.106603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.106603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.106603 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -49.190
Base-Backbone interact. energy: -0.001
local terms energy: -55.738986
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -14.182
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: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.040074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.040074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.040074 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -16.601
Base-Backbone interact. energy: -0.109
local terms energy: -42.703961
where:
bonds (distance) C4'-P energy: -6.839
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -1.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -196.772531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.772531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.772531 (E_RNA)
where:
Base-Base interactions energy: -135.381
where: short stacking energy: -60.591
Base-Backbone interact. energy: -0.667
local terms energy: -60.724641
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -193.237055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.237055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.237055 (E_RNA)
where:
Base-Base interactions energy: -135.417
where: short stacking energy: -65.426
Base-Backbone interact. energy: -0.000
local terms energy: -57.819441
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -18.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -188.973424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.973424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.973424 (E_RNA)
where:
Base-Base interactions energy: -126.120
where: short stacking energy: -55.468
Base-Backbone interact. energy: -0.001
local terms energy: -62.852316
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.676
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -16.348
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: 7
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -184.916182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.916182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.916182 (E_RNA)
where:
Base-Base interactions energy: -123.376
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.054
local terms energy: -61.486073
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -178.649535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.649535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.649535 (E_RNA)
where:
Base-Base interactions energy: -125.574
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.058
local terms energy: -53.018018
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -9.062
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -172.137223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.137223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.137223 (E_RNA)
where:
Base-Base interactions energy: -123.745
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.167
local terms energy: -48.225530
where:
bonds (distance) C4'-P energy: -11.402
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -8.830
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -177.175575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.175575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.175575 (E_RNA)
where:
Base-Base interactions energy: -126.906
where: short stacking energy: -59.540
Base-Backbone interact. energy: -0.042
local terms energy: -50.227399
where:
bonds (distance) C4'-P energy: -3.007
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -181.455858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455858 (E_RNA)
where:
Base-Base interactions energy: -125.283
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.013
local terms energy: -56.159806
where:
bonds (distance) C4'-P energy: -11.274
bonds (distance) P-C4' energy: -9.300
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -169.551410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.551410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.551410 (E_RNA)
where:
Base-Base interactions energy: -116.141
where: short stacking energy: -49.183
Base-Backbone interact. energy: -0.017
local terms energy: -53.393794
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -63.583196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.583196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.583196 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -14.225
Base-Backbone interact. energy: -0.517
local terms energy: -29.525863
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -11.203
flat angles C4'-P-C4' energy: -5.777
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: 5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -192.049834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.049834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.049834 (E_RNA)
where:
Base-Base interactions energy: -134.083
where: short stacking energy: -63.104
Base-Backbone interact. energy: -0.005
local terms energy: -57.962122
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -193.368119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.368119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.368119 (E_RNA)
where:
Base-Base interactions energy: -129.306
where: short stacking energy: -59.165
Base-Backbone interact. energy: -0.827
local terms energy: -63.234904
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -188.165375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.165375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.165375 (E_RNA)
where:
Base-Base interactions energy: -128.563
where: short stacking energy: -60.927
Base-Backbone interact. energy: -0.049
local terms energy: -59.553988
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -10.695
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -181.462720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.462720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.462720 (E_RNA)
where:
Base-Base interactions energy: -127.824
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.007
local terms energy: -53.631287
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -4.858
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -177.667827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.667827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.667827 (E_RNA)
where:
Base-Base interactions energy: -121.237
where: short stacking energy: -49.923
Base-Backbone interact. energy: -0.892
local terms energy: -55.538995
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -11.796
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: 6, replica: 3
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -179.505223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.505223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.505223 (E_RNA)
where:
Base-Base interactions energy: -124.629
where: short stacking energy: -55.517
Base-Backbone interact. energy: 0.216
local terms energy: -55.091602
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -12.180
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -12.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -166.674565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.674565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.674565 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -50.124
Base-Backbone interact. energy: -0.402
local terms energy: -44.373807
where:
bonds (distance) C4'-P energy: -10.359
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -8.165
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: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -171.569264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.569264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.569264 (E_RNA)
where:
Base-Base interactions energy: -120.112
where: short stacking energy: -45.877
Base-Backbone interact. energy: -0.197
local terms energy: -51.259449
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -10.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -158.898018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.898018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.898018 (E_RNA)
where:
Base-Base interactions energy: -110.201
where: short stacking energy: -38.732
Base-Backbone interact. energy: -0.032
local terms energy: -48.664793
where:
bonds (distance) C4'-P energy: -11.107
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -7.645
tors. eta vs tors. theta energy: -10.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -70.393506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.393506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.393506 (E_RNA)
where:
Base-Base interactions energy: -33.487
where: short stacking energy: -13.305
Base-Backbone interact. energy: -0.067
local terms energy: -36.839844
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -4.633
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -191.762080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.762080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.762080 (E_RNA)
where:
Base-Base interactions energy: -128.271
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.009
local terms energy: -63.482516
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -14.801
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: 2, replica: 6
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -193.332324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.332324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.332324 (E_RNA)
where:
Base-Base interactions energy: -133.610
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.009
local terms energy: -59.713177
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -14.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -189.426523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.426523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.426523 (E_RNA)
where:
Base-Base interactions energy: -128.735
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.001
local terms energy: -60.690236
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -16.385
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: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -182.918155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.918155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.918155 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -55.599
Base-Backbone interact. energy: -0.122
local terms energy: -55.856219
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -184.430606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.430606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.430606 (E_RNA)
where:
Base-Base interactions energy: -128.538
where: short stacking energy: -60.782
Base-Backbone interact. energy: 0.093
local terms energy: -55.985833
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -9.135
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -180.604629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.604629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.604629 (E_RNA)
where:
Base-Base interactions energy: -125.291
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.001
local terms energy: -55.313037
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -162.948040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.948040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.948040 (E_RNA)
where:
Base-Base interactions energy: -110.768
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.150
local terms energy: -52.030078
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -9.433
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -12.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -165.829043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.829043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.829043 (E_RNA)
where:
Base-Base interactions energy: -110.192
where: short stacking energy: -46.758
Base-Backbone interact. energy: -0.513
local terms energy: -55.123628
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -12.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -152.560701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.560701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.560701 (E_RNA)
where:
Base-Base interactions energy: -105.180
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.110
local terms energy: -47.271103
where:
bonds (distance) C4'-P energy: -9.605
bonds (distance) P-C4' energy: -9.308
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -9.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -65.335502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.335502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.335502 (E_RNA)
where:
Base-Base interactions energy: -30.158
where: short stacking energy: -30.158
Base-Backbone interact. energy: 2.086
local terms energy: -37.263237
where:
bonds (distance) C4'-P energy: -5.283
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -5.865
tors. eta vs tors. theta energy: -1.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -192.904774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.904774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.904774 (E_RNA)
where:
Base-Base interactions energy: -131.164
where: short stacking energy: -59.185
Base-Backbone interact. energy: -0.007
local terms energy: -61.733930
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -14.561
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: 355
Temperature: 0.950000
Total energy: -191.226758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.226758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.226758 (E_RNA)
where:
Base-Base interactions energy: -129.824
where: short stacking energy: -60.612
Base-Backbone interact. energy: -0.093
local terms energy: -61.309682
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -14.382
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: 355
Temperature: 1.000000
Total energy: -184.915091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.915091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.915091 (E_RNA)
where:
Base-Base interactions energy: -125.455
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.009
local terms energy: -59.451290
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -12.601
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -187.323882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.323882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.323882 (E_RNA)
where:
Base-Base interactions energy: -124.554
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.024
local terms energy: -62.745928
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -15.560
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: 7
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -174.931670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.931670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.931670 (E_RNA)
where:
Base-Base interactions energy: -114.271
where: short stacking energy: -49.958
Base-Backbone interact. energy: -0.013
local terms energy: -60.647257
where:
bonds (distance) C4'-P energy: -10.255
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -178.389618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.389618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.389618 (E_RNA)
where:
Base-Base interactions energy: -121.498
where: short stacking energy: -58.550
Base-Backbone interact. energy: -0.019
local terms energy: -56.872520
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -180.216475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.216475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.216475 (E_RNA)
where:
Base-Base interactions energy: -127.004
where: short stacking energy: -56.031
Base-Backbone interact. energy: 0.050
local terms energy: -53.263088
where:
bonds (distance) C4'-P energy: -7.542
bonds (distance) P-C4' energy: -12.532
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -12.775
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: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -165.338894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.338894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.338894 (E_RNA)
where:
Base-Base interactions energy: -118.069
where: short stacking energy: -43.539
Base-Backbone interact. energy: -0.207
local terms energy: -47.063077
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -10.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -171.666258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.666258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.666258 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -53.080
Base-Backbone interact. energy: -0.001
local terms energy: -54.655077
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -12.753
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: 5
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -71.982342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.982342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.982342 (E_RNA)
where:
Base-Base interactions energy: -40.423
where: short stacking energy: -17.178
Base-Backbone interact. energy: -0.683
local terms energy: -30.876171
where:
bonds (distance) C4'-P energy: -7.837
bonds (distance) P-C4' energy: -10.101
flat angles C4'-P-C4' energy: -6.763
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -193.470990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.470990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.470990 (E_RNA)
where:
Base-Base interactions energy: -131.599
where: short stacking energy: -59.558
Base-Backbone interact. energy: -0.002
local terms energy: -61.870494
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -17.129
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: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -191.152640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.152640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.152640 (E_RNA)
where:
Base-Base interactions energy: -129.060
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.007
local terms energy: -62.085248
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -13.658
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: 356
Temperature: 1.000000
Total energy: -186.175384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.175384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.175384 (E_RNA)
where:
Base-Base interactions energy: -127.383
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.012
local terms energy: -58.779977
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -14.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -185.600333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.600333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.600333 (E_RNA)
where:
Base-Base interactions energy: -126.861
where: short stacking energy: -59.181
Base-Backbone interact. energy: 1.312
local terms energy: -60.051522
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -11.228
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -181.608760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.608760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.608760 (E_RNA)
where:
Base-Base interactions energy: -125.726
where: short stacking energy: -53.296
Base-Backbone interact. energy: -0.003
local terms energy: -55.880467
where:
bonds (distance) C4'-P energy: -8.464
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -178.876240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.876240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.876240 (E_RNA)
where:
Base-Base interactions energy: -125.647
where: short stacking energy: -50.328
Base-Backbone interact. energy: 1.354
local terms energy: -54.583362
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -181.462793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.462793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.462793 (E_RNA)
where:
Base-Base interactions energy: -124.406
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.002
local terms energy: -57.054586
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -177.590538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.590538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.590538 (E_RNA)
where:
Base-Base interactions energy: -115.324
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.672
local terms energy: -61.594929
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.071
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: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -165.935318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.935318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.935318 (E_RNA)
where:
Base-Base interactions energy: -121.240
where: short stacking energy: -53.543
Base-Backbone interact. energy: -0.121
local terms energy: -44.574277
where:
bonds (distance) C4'-P energy: -12.031
bonds (distance) P-C4' energy: -4.752
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -66.641955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.641955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.641955 (E_RNA)
where:
Base-Base interactions energy: -29.729
where: short stacking energy: -29.729
Base-Backbone interact. energy: -0.239
local terms energy: -36.674629
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -5.103
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -192.554044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.554044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.554044 (E_RNA)
where:
Base-Base interactions energy: -129.231
where: short stacking energy: -61.736
Base-Backbone interact. energy: -0.042
local terms energy: -63.280296
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -187.734766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.734766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.734766 (E_RNA)
where:
Base-Base interactions energy: -124.737
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.044
local terms energy: -62.953899
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -14.760
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -183.886503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.886503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.886503 (E_RNA)
where:
Base-Base interactions energy: -126.532
where: short stacking energy: -57.131
Base-Backbone interact. energy: -0.147
local terms energy: -57.208019
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -13.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -184.346187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.346187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.346187 (E_RNA)
where:
Base-Base interactions energy: -134.428
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.019
local terms energy: -49.899268
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -8.201
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: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -183.352418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.352418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.352418 (E_RNA)
where:
Base-Base interactions energy: -123.942
where: short stacking energy: -53.273
Base-Backbone interact. energy: -0.013
local terms energy: -59.397214
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -179.611902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.611902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.611902 (E_RNA)
where:
Base-Base interactions energy: -122.308
where: short stacking energy: -55.353
Base-Backbone interact. energy: -0.275
local terms energy: -57.028854
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -9.739
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -15.968
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: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -168.020205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.020205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.020205 (E_RNA)
where:
Base-Base interactions energy: -122.982
where: short stacking energy: -52.961
Base-Backbone interact. energy: 1.444
local terms energy: -46.481655
where:
bonds (distance) C4'-P energy: -3.810
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: -12.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -173.366462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.366462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.366462 (E_RNA)
where:
Base-Base interactions energy: -124.022
where: short stacking energy: -49.830
Base-Backbone interact. energy: -0.004
local terms energy: -49.340071
where:
bonds (distance) C4'-P energy: -10.681
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -10.924
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: 1
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -164.058695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.058695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.058695 (E_RNA)
where:
Base-Base interactions energy: -108.577
where: short stacking energy: -47.699
Base-Backbone interact. energy: -0.023
local terms energy: -55.458264
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -11.947
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: 10, replica: 5
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -62.766634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.766634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.766634 (E_RNA)
where:
Base-Base interactions energy: -28.709
where: short stacking energy: -16.968
Base-Backbone interact. energy: -0.139
local terms energy: -33.918424
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -9.974
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: 1.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -194.583944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.583944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.583944 (E_RNA)
where:
Base-Base interactions energy: -132.263
where: short stacking energy: -63.806
Base-Backbone interact. energy: -0.055
local terms energy: -62.266506
where:
bonds (distance) C4'-P energy: -5.085
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -188.849992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.849992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.849992 (E_RNA)
where:
Base-Base interactions energy: -133.492
where: short stacking energy: -56.473
Base-Backbone interact. energy: -0.007
local terms energy: -55.350924
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -11.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -185.143753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.143753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.143753 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.216
local terms energy: -55.349438
where:
bonds (distance) C4'-P energy: -12.055
bonds (distance) P-C4' energy: -9.257
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -189.949699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.949699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.949699 (E_RNA)
where:
Base-Base interactions energy: -131.061
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.002
local terms energy: -58.886706
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -11.752
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -176.307980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.307980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.307980 (E_RNA)
where:
Base-Base interactions energy: -119.630
where: short stacking energy: -48.785
Base-Backbone interact. energy: -0.102
local terms energy: -56.575848
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.921
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: 6, replica: 6
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -176.041818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.041818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.041818 (E_RNA)
where:
Base-Base interactions energy: -120.078
where: short stacking energy: -55.156
Base-Backbone interact. energy: -0.497
local terms energy: -55.466237
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -10.231
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -169.624583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.624583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.624583 (E_RNA)
where:
Base-Base interactions energy: -123.384
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.085
local terms energy: -46.154947
where:
bonds (distance) C4'-P energy: -4.114
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -7.948
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: 8, replica: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -170.891255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.891255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.891255 (E_RNA)
where:
Base-Base interactions energy: -124.108
where: short stacking energy: -57.687
Base-Backbone interact. energy: -0.002
local terms energy: -46.780427
where:
bonds (distance) C4'-P energy: -5.046
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -8.136
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -16.905
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: 358
Temperature: 1.300000
Total energy: -156.651249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.651249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.651249 (E_RNA)
where:
Base-Base interactions energy: -107.060
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.002
local terms energy: -49.589617
where:
bonds (distance) C4'-P energy: -8.152
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -10.578
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -60.936662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.936662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.936662 (E_RNA)
where:
Base-Base interactions energy: -19.754
where: short stacking energy: -19.754
Base-Backbone interact. energy: -0.067
local terms energy: -41.115837
where:
bonds (distance) C4'-P energy: -11.294
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -2.242
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -198.832694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.832694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832694 (E_RNA)
where:
Base-Base interactions energy: -134.485
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.007
local terms energy: -64.340240
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -17.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -189.277548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.277548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.277548 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -61.608
Base-Backbone interact. energy: -0.004
local terms energy: -58.232023
where:
bonds (distance) C4'-P energy: -9.576
bonds (distance) P-C4' energy: -10.150
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -14.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -189.864881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.864881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.864881 (E_RNA)
where:
Base-Base interactions energy: -130.058
where: short stacking energy: -59.027
Base-Backbone interact. energy: -0.010
local terms energy: -59.796661
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -15.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -191.793626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.793626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.793626 (E_RNA)
where:
Base-Base interactions energy: -130.581
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.002
local terms energy: -61.210749
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -7.531
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: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -175.491574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.491574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.491574 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -56.182
Base-Backbone interact. energy: 1.729
local terms energy: -55.349505
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -10.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -176.572081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.572081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.572081 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -53.178
Base-Backbone interact. energy: -0.006
local terms energy: -57.004136
where:
bonds (distance) C4'-P energy: -9.783
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -169.863182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.863182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.863182 (E_RNA)
where:
Base-Base interactions energy: -116.279
where: short stacking energy: -49.911
Base-Backbone interact. energy: -0.088
local terms energy: -53.496275
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -170.671252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.671252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.671252 (E_RNA)
where:
Base-Base interactions energy: -121.089
where: short stacking energy: -57.785
Base-Backbone interact. energy: -0.068
local terms energy: -49.514309
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -7.030
flat angles C4'-P-C4' energy: -7.949
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -15.852
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: 3
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -170.676862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.676862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.676862 (E_RNA)
where:
Base-Base interactions energy: -116.476
where: short stacking energy: -54.340
Base-Backbone interact. energy: -0.000
local terms energy: -54.200787
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -62.922421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.922421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.922421 (E_RNA)
where:
Base-Base interactions energy: -22.785
where: short stacking energy: -22.785
Base-Backbone interact. energy: -0.001
local terms energy: -40.136178
where:
bonds (distance) C4'-P energy: -6.637
bonds (distance) P-C4' energy: -9.774
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -7.604
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -195.796983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.796983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.796983 (E_RNA)
where:
Base-Base interactions energy: -129.988
where: short stacking energy: -61.256
Base-Backbone interact. energy: -0.002
local terms energy: -65.807688
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -17.794
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: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -184.371989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.371989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.371989 (E_RNA)
where:
Base-Base interactions energy: -125.316
where: short stacking energy: -51.700
Base-Backbone interact. energy: 0.268
local terms energy: -59.323943
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -187.992301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.992301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.992301 (E_RNA)
where:
Base-Base interactions energy: -126.952
where: short stacking energy: -59.371
Base-Backbone interact. energy: -0.016
local terms energy: -61.024606
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -13.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -184.886260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886260 (E_RNA)
where:
Base-Base interactions energy: -125.411
where: short stacking energy: -54.860
Base-Backbone interact. energy: 0.243
local terms energy: -59.718368
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -8.058
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -184.301430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.301430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.301430 (E_RNA)
where:
Base-Base interactions energy: -129.332
where: short stacking energy: -59.185
Base-Backbone interact. energy: -0.322
local terms energy: -54.647156
where:
bonds (distance) C4'-P energy: -9.676
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -179.541886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.541886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.541886 (E_RNA)
where:
Base-Base interactions energy: -124.127
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.019
local terms energy: -55.396329
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -10.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -180.654922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.654922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.654922 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -56.480
Base-Backbone interact. energy: -0.009
local terms energy: -57.373137
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -15.403
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: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -159.565250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.565250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.565250 (E_RNA)
where:
Base-Base interactions energy: -111.826
where: short stacking energy: -50.305
Base-Backbone interact. energy: -1.102
local terms energy: -46.636791
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -6.971
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -5.515
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: 9, replica: 3
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -165.633786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.633786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.633786 (E_RNA)
where:
Base-Base interactions energy: -114.819
where: short stacking energy: -45.750
Base-Backbone interact. energy: -0.739
local terms energy: -50.075463
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -9.443
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -8.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -77.576102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.576102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.576102 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -36.522
Base-Backbone interact. energy: -0.011
local terms energy: -41.043590
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -6.391
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -7.859
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: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -192.225477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.225477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.225477 (E_RNA)
where:
Base-Base interactions energy: -135.158
where: short stacking energy: -62.161
Base-Backbone interact. energy: -0.006
local terms energy: -57.061793
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -7.919
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: 2, replica: 8
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -192.574256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.574256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.574256 (E_RNA)
where:
Base-Base interactions energy: -136.524
where: short stacking energy: -61.260
Base-Backbone interact. energy: -0.036
local terms energy: -56.013749
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -13.544
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -188.875952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.875952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.875952 (E_RNA)
where:
Base-Base interactions energy: -130.037
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.032
local terms energy: -58.807855
where:
bonds (distance) C4'-P energy: -7.162
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -179.912183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.912183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.912183 (E_RNA)
where:
Base-Base interactions energy: -125.662
where: short stacking energy: -58.676
Base-Backbone interact. energy: 0.010
local terms energy: -54.260420
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -182.693690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.693690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.693690 (E_RNA)
where:
Base-Base interactions energy: -124.036
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.001
local terms energy: -58.656659
where:
bonds (distance) C4'-P energy: -12.383
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -172.971671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.971671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.971671 (E_RNA)
where:
Base-Base interactions energy: -118.477
where: short stacking energy: -51.432
Base-Backbone interact. energy: -0.041
local terms energy: -54.452947
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -6.998
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -11.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -174.789782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.789782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.789782 (E_RNA)
where:
Base-Base interactions energy: -121.534
where: short stacking energy: -51.577
Base-Backbone interact. energy: -0.154
local terms energy: -53.102324
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -8.550
flat angles C4'-P-C4' energy: -12.807
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -13.655
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: 8, replica: 3
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -177.308463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.308463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.308463 (E_RNA)
where:
Base-Base interactions energy: -121.996
where: short stacking energy: -54.032
Base-Backbone interact. energy: -0.000
local terms energy: -55.312317
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -180.064348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.064348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.064348 (E_RNA)
where:
Base-Base interactions energy: -123.944
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.000
local terms energy: -56.120499
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -10.467
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -7.096
tors. eta vs tors. theta energy: -11.888
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: 5
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -70.543306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.543306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.543306 (E_RNA)
where:
Base-Base interactions energy: -30.684
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.070
local terms energy: -39.788973
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -8.891
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -193.125712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.125712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.125712 (E_RNA)
where:
Base-Base interactions energy: -130.258
where: short stacking energy: -60.068
Base-Backbone interact. energy: -0.002
local terms energy: -62.866162
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -17.631
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: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -193.347678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.347678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.347678 (E_RNA)
where:
Base-Base interactions energy: -134.227
where: short stacking energy: -62.348
Base-Backbone interact. energy: -0.005
local terms energy: -59.116167
where:
bonds (distance) C4'-P energy: -8.832
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -187.943013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.943013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.943013 (E_RNA)
where:
Base-Base interactions energy: -129.512
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.041
local terms energy: -58.390319
where:
bonds (distance) C4'-P energy: -11.016
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -9.646
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -15.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -185.160964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.160964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.160964 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -55.916
Base-Backbone interact. energy: -0.004
local terms energy: -56.675042
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -11.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -183.358530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.358530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.358530 (E_RNA)
where:
Base-Base interactions energy: -125.805
where: short stacking energy: -54.623
Base-Backbone interact. energy: -0.001
local terms energy: -57.552764
where:
bonds (distance) C4'-P energy: -8.279
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -177.809695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.809695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.809695 (E_RNA)
where:
Base-Base interactions energy: -120.681
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.000
local terms energy: -57.128034
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -11.126
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -14.326
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: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -167.103459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.103459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.103459 (E_RNA)
where:
Base-Base interactions energy: -114.535
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.112
local terms energy: -52.457358
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -167.703293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.703293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.703293 (E_RNA)
where:
Base-Base interactions energy: -115.227
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.005
local terms energy: -52.472229
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -5.562
tors. eta vs tors. theta energy: -14.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -160.069667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.069667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.069667 (E_RNA)
where:
Base-Base interactions energy: -112.101
where: short stacking energy: -48.264
Base-Backbone interact. energy: -0.113
local terms energy: -47.856120
where:
bonds (distance) C4'-P energy: -7.596
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -11.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -72.207025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.207025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.207025 (E_RNA)
where:
Base-Base interactions energy: -34.148
where: short stacking energy: -23.754
Base-Backbone interact. energy: 0.544
local terms energy: -38.603022
where:
bonds (distance) C4'-P energy: -9.382
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -1.192
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: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -188.899532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.899532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.899532 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -57.978
Base-Backbone interact. energy: 1.071
local terms energy: -62.142760
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -15.195
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: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -188.679407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679407 (E_RNA)
where:
Base-Base interactions energy: -126.695
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.430
local terms energy: -61.554152
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -16.787
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: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -189.562829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.562829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.562829 (E_RNA)
where:
Base-Base interactions energy: -123.777
where: short stacking energy: -55.062
Base-Backbone interact. energy: -0.328
local terms energy: -65.458227
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -183.084378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.084378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.084378 (E_RNA)
where:
Base-Base interactions energy: -121.295
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.003
local terms energy: -61.786245
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -13.798
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: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -183.374678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.374678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.374678 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -54.137
Base-Backbone interact. energy: -0.196
local terms energy: -60.005106
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -15.929
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: 3
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -178.104782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.104782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.104782 (E_RNA)
where:
Base-Base interactions energy: -121.378
where: short stacking energy: -53.693
Base-Backbone interact. energy: 0.655
local terms energy: -57.381732
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -12.394
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: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -175.916113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.916113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.916113 (E_RNA)
where:
Base-Base interactions energy: -122.056
where: short stacking energy: -54.162
Base-Backbone interact. energy: -0.599
local terms energy: -53.261236
where:
bonds (distance) C4'-P energy: -10.929
bonds (distance) P-C4' energy: -9.599
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -10.904
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: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -173.638540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.638540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.638540 (E_RNA)
where:
Base-Base interactions energy: -121.249
where: short stacking energy: -51.071
Base-Backbone interact. energy: -0.062
local terms energy: -52.327548
where:
bonds (distance) C4'-P energy: -8.632
bonds (distance) P-C4' energy: -5.797
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -158.185103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.185103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.185103 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -45.970
Base-Backbone interact. energy: -0.097
local terms energy: -45.223835
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -9.353
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -9.766
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: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -65.253777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.253777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.253777 (E_RNA)
where:
Base-Base interactions energy: -22.830
where: short stacking energy: -19.484
Base-Backbone interact. energy: -0.085
local terms energy: -42.338215
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -196.484362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.484362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.484362 (E_RNA)
where:
Base-Base interactions energy: -128.603
where: short stacking energy: -59.481
Base-Backbone interact. energy: -0.001
local terms energy: -67.880052
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.940
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: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -184.468763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.468763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.468763 (E_RNA)
where:
Base-Base interactions energy: -129.138
where: short stacking energy: -58.434
Base-Backbone interact. energy: -0.085
local terms energy: -55.246208
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -13.851
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: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -186.783747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.783747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.783747 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.001
local terms energy: -56.516974
where:
bonds (distance) C4'-P energy: -7.956
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -14.776
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: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -181.276903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.276903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.276903 (E_RNA)
where:
Base-Base interactions energy: -124.858
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.029
local terms energy: -56.389778
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -9.816
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -175.761196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.761196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.761196 (E_RNA)
where:
Base-Base interactions energy: -122.152
where: short stacking energy: -53.743
Base-Backbone interact. energy: -0.004
local terms energy: -53.605169
where:
bonds (distance) C4'-P energy: -10.499
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -183.556735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.556735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.556735 (E_RNA)
where:
Base-Base interactions energy: -127.338
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.055
local terms energy: -56.163015
where:
bonds (distance) C4'-P energy: -7.697
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -8.325
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: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -181.372714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.372714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.372714 (E_RNA)
where:
Base-Base interactions energy: -121.829
where: short stacking energy: -54.253
Base-Backbone interact. energy: -0.020
local terms energy: -59.524215
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -6.790
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -156.951880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.951880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.951880 (E_RNA)
where:
Base-Base interactions energy: -116.990
where: short stacking energy: -50.389
Base-Backbone interact. energy: 1.315
local terms energy: -41.277157
where:
bonds (distance) C4'-P energy: -4.251
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -7.254
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -162.636291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.636291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.636291 (E_RNA)
where:
Base-Base interactions energy: -111.984
where: short stacking energy: -49.010
Base-Backbone interact. energy: -0.047
local terms energy: -50.605417
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.883
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -3.483
tors. eta vs tors. theta energy: -11.083
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: 5
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -136.250609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.250609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.250609 (E_RNA)
where:
Base-Base interactions energy: -90.004
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.079
local terms energy: -46.167926
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -12.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -198.738107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.738107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.738107 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.010
local terms energy: -68.365973
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.518
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: 365
Temperature: 0.950000
Total energy: -192.645775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.645775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.645775 (E_RNA)
where:
Base-Base interactions energy: -132.375
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.009
local terms energy: -60.261915
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -10.877
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -190.921944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.921944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.921944 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.041
local terms energy: -60.187496
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -186.184243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.184243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.184243 (E_RNA)
where:
Base-Base interactions energy: -126.896
where: short stacking energy: -59.247
Base-Backbone interact. energy: -0.002
local terms energy: -59.286120
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -182.598237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.598237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.598237 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.001
local terms energy: -53.934343
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -12.758
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: 6, replica: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -174.217674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217674 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.008
local terms energy: -53.100070
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -8.830
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: 7, replica: 4
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -174.617639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.617639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.617639 (E_RNA)
where:
Base-Base interactions energy: -121.499
where: short stacking energy: -48.106
Base-Backbone interact. energy: -0.212
local terms energy: -52.906374
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -10.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -172.042738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.042738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.042738 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -53.367
Base-Backbone interact. energy: -0.014
local terms energy: -51.796168
where:
bonds (distance) C4'-P energy: -7.945
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -11.979
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: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -175.167089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.167089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.167089 (E_RNA)
where:
Base-Base interactions energy: -115.975
where: short stacking energy: -49.095
Base-Backbone interact. energy: -0.157
local terms energy: -59.035443
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -16.069
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: 5
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -176.505006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.505006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.505006 (E_RNA)
where:
Base-Base interactions energy: -125.177
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.084
local terms energy: -51.244272
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -4.895
tors. eta vs tors. theta energy: -11.661
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: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -193.126042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.126042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.126042 (E_RNA)
where:
Base-Base interactions energy: -128.609
where: short stacking energy: -60.897
Base-Backbone interact. energy: -0.012
local terms energy: -64.505299
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -191.535257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.535257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.535257 (E_RNA)
where:
Base-Base interactions energy: -129.645
where: short stacking energy: -57.347
Base-Backbone interact. energy: -0.074
local terms energy: -61.816184
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -8.252
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: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -193.319519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.319519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.319519 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -61.056
Base-Backbone interact. energy: -0.034
local terms energy: -62.568863
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -184.397930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.397930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.397930 (E_RNA)
where:
Base-Base interactions energy: -126.400
where: short stacking energy: -57.159
Base-Backbone interact. energy: -0.019
local terms energy: -57.978770
where:
bonds (distance) C4'-P energy: -10.127
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.249
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -175.569264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.569264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.569264 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -50.693
Base-Backbone interact. energy: -0.006
local terms energy: -54.515971
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -180.630341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.630341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.630341 (E_RNA)
where:
Base-Base interactions energy: -125.038
where: short stacking energy: -58.362
Base-Backbone interact. energy: -0.562
local terms energy: -55.031010
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -168.354270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.354270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.354270 (E_RNA)
where:
Base-Base interactions energy: -110.420
where: short stacking energy: -43.216
Base-Backbone interact. energy: -0.876
local terms energy: -57.058832
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -13.818
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: 366
Temperature: 1.250000
Total energy: -167.470187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.470187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.470187 (E_RNA)
where:
Base-Base interactions energy: -120.931
where: short stacking energy: -50.550
Base-Backbone interact. energy: -0.019
local terms energy: -46.520731
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -4.587
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: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -165.973206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.973206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.973206 (E_RNA)
where:
Base-Base interactions energy: -113.111
where: short stacking energy: -54.095
Base-Backbone interact. energy: -0.000
local terms energy: -52.861816
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -5.322
tors. eta vs tors. theta energy: -15.204
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: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -170.538309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.538309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.538309 (E_RNA)
where:
Base-Base interactions energy: -123.655
where: short stacking energy: -59.691
Base-Backbone interact. energy: -0.001
local terms energy: -46.882459
where:
bonds (distance) C4'-P energy: -6.058
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.183
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -188.951828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.951828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.951828 (E_RNA)
where:
Base-Base interactions energy: -128.635
where: short stacking energy: -60.233
Base-Backbone interact. energy: -0.240
local terms energy: -60.076451
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -11.347
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: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -192.360079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.360079 (E_RNA)
where:
Base-Base interactions energy: -131.338
where: short stacking energy: -58.427
Base-Backbone interact. energy: -0.000
local terms energy: -61.021628
where:
bonds (distance) C4'-P energy: -9.527
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -16.915
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: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -191.559725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.559725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.559725 (E_RNA)
where:
Base-Base interactions energy: -133.587
where: short stacking energy: -63.289
Base-Backbone interact. energy: -0.020
local terms energy: -57.952345
where:
bonds (distance) C4'-P energy: -5.538
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -16.506
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: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -182.215197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.215197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.215197 (E_RNA)
where:
Base-Base interactions energy: -128.680
where: short stacking energy: -56.235
Base-Backbone interact. energy: -0.001
local terms energy: -53.534148
where:
bonds (distance) C4'-P energy: -7.696
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -15.263
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -183.175347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.175347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.175347 (E_RNA)
where:
Base-Base interactions energy: -124.476
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.001
local terms energy: -58.698764
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.166
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -175.973492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.973492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.973492 (E_RNA)
where:
Base-Base interactions energy: -122.727
where: short stacking energy: -47.562
Base-Backbone interact. energy: 0.012
local terms energy: -53.258519
where:
bonds (distance) C4'-P energy: -7.742
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -10.339
tors. eta vs tors. theta energy: -10.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -179.209784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.209784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.209784 (E_RNA)
where:
Base-Base interactions energy: -127.393
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.062
local terms energy: -51.755526
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -9.053
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -176.406612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.406612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.406612 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.001
local terms energy: -55.491683
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -164.146626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.146626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.146626 (E_RNA)
where:
Base-Base interactions energy: -114.486
where: short stacking energy: -50.568
Base-Backbone interact. energy: -0.186
local terms energy: -49.474769
where:
bonds (distance) C4'-P energy: -9.231
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -13.504
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: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -175.317573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.317573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.317573 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.001
local terms energy: -51.511043
where:
bonds (distance) C4'-P energy: -9.639
bonds (distance) P-C4' energy: -8.666
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -8.296
tors. eta vs tors. theta energy: -12.922
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: 8
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -193.522209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.522209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.522209 (E_RNA)
where:
Base-Base interactions energy: -130.550
where: short stacking energy: -59.287
Base-Backbone interact. energy: -0.016
local terms energy: -62.955810
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -190.887868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.887868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.887868 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -56.661
Base-Backbone interact. energy: -0.000
local terms energy: -58.876367
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -14.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -188.148291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.148291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.148291 (E_RNA)
where:
Base-Base interactions energy: -126.935
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.003
local terms energy: -61.210241
where:
bonds (distance) C4'-P energy: -10.324
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -16.547
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: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -187.173088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.173088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.173088 (E_RNA)
where:
Base-Base interactions energy: -130.842
where: short stacking energy: -64.490
Base-Backbone interact. energy: -0.010
local terms energy: -56.320705
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -10.015
flat angles C4'-P-C4' energy: -12.716
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -176.422670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.422670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.422670 (E_RNA)
where:
Base-Base interactions energy: -117.783
where: short stacking energy: -48.867
Base-Backbone interact. energy: -0.080
local terms energy: -58.559000
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -178.828340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.828340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.828340 (E_RNA)
where:
Base-Base interactions energy: -122.930
where: short stacking energy: -57.938
Base-Backbone interact. energy: -0.874
local terms energy: -55.024350
where:
bonds (distance) C4'-P energy: -8.723
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -178.522941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.522941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.522941 (E_RNA)
where:
Base-Base interactions energy: -123.951
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.006
local terms energy: -54.566543
where:
bonds (distance) C4'-P energy: -5.407
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -15.567
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: 8, replica: 2
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -170.432480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.432480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.432480 (E_RNA)
where:
Base-Base interactions energy: -118.645
where: short stacking energy: -52.228
Base-Backbone interact. energy: -0.044
local terms energy: -51.744000
where:
bonds (distance) C4'-P energy: -8.997
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -12.556
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: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -175.499813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.499813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.499813 (E_RNA)
where:
Base-Base interactions energy: -127.902
where: short stacking energy: -58.875
Base-Backbone interact. energy: -0.000
local terms energy: -47.597524
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -10.615
flat angles P-C4'-P energy: -5.595
tors. eta vs tors. theta energy: -12.452
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -158.695319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.695319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.695319 (E_RNA)
where:
Base-Base interactions energy: -114.258
where: short stacking energy: -47.402
Base-Backbone interact. energy: 2.197
local terms energy: -46.634119
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -11.386
flat angles C4'-P-C4' energy: -8.831
flat angles P-C4'-P energy: -6.465
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -199.263924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.263924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.263924 (E_RNA)
where:
Base-Base interactions energy: -133.107
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.000
local terms energy: -66.156542
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -17.496
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: 9
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -193.801217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.801217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.801217 (E_RNA)
where:
Base-Base interactions energy: -130.943
where: short stacking energy: -61.322
Base-Backbone interact. energy: -0.008
local terms energy: -62.849611
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -8.695
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: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -187.922427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.922427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.922427 (E_RNA)
where:
Base-Base interactions energy: -126.552
where: short stacking energy: -52.817
Base-Backbone interact. energy: -0.049
local terms energy: -61.321897
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -9.989
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: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -187.808857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.808857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.808857 (E_RNA)
where:
Base-Base interactions energy: -127.068
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.459
local terms energy: -60.281567
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -14.351
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: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -181.898277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.898277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.898277 (E_RNA)
where:
Base-Base interactions energy: -127.018
where: short stacking energy: -55.395
Base-Backbone interact. energy: -0.013
local terms energy: -54.867420
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -168.746776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.746776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.746776 (E_RNA)
where:
Base-Base interactions energy: -119.498
where: short stacking energy: -48.560
Base-Backbone interact. energy: -0.061
local terms energy: -49.187037
where:
bonds (distance) C4'-P energy: -7.823
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.537
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -9.776
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: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -169.650777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.650777 (E_RNA)
where:
Base-Base interactions energy: -123.255
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.020
local terms energy: -46.376124
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -3.648
tors. eta vs tors. theta energy: -11.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -169.359693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.359693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.359693 (E_RNA)
where:
Base-Base interactions energy: -120.670
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.006
local terms energy: -48.683711
where:
bonds (distance) C4'-P energy: -7.559
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -12.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -173.196331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196331 (E_RNA)
where:
Base-Base interactions energy: -120.498
where: short stacking energy: -46.767
Base-Backbone interact. energy: -1.186
local terms energy: -51.512363
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -11.111
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -169.572463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.572463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.572463 (E_RNA)
where:
Base-Base interactions energy: -115.533
where: short stacking energy: -54.140
Base-Backbone interact. energy: -0.036
local terms energy: -54.004016
where:
bonds (distance) C4'-P energy: -8.752
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -14.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -194.443158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.443158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.443158 (E_RNA)
where:
Base-Base interactions energy: -129.891
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.024
local terms energy: -64.528110
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -16.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -189.567051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.567051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.567051 (E_RNA)
where:
Base-Base interactions energy: -126.008
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.004
local terms energy: -63.555966
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -191.186143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186143 (E_RNA)
where:
Base-Base interactions energy: -130.594
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.018
local terms energy: -60.573670
where:
bonds (distance) C4'-P energy: -8.458
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -15.405
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: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -184.868985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.868985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.868985 (E_RNA)
where:
Base-Base interactions energy: -129.653
where: short stacking energy: -59.597
Base-Backbone interact. energy: -0.048
local terms energy: -55.168634
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -182.821478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821478 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -60.014
Base-Backbone interact. energy: -0.000
local terms energy: -55.879962
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -7.474
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: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -179.626785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.626785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.626785 (E_RNA)
where:
Base-Base interactions energy: -119.467
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.034
local terms energy: -60.126627
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -12.133
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -14.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -170.380458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.380458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.380458 (E_RNA)
where:
Base-Base interactions energy: -118.675
where: short stacking energy: -50.336
Base-Backbone interact. energy: -0.134
local terms energy: -51.571948
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -11.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -169.915717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.915717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.915717 (E_RNA)
where:
Base-Base interactions energy: -118.564
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.001
local terms energy: -51.350377
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -9.058
flat angles C4'-P-C4' energy: -10.975
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -13.126
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: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -163.531610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.531610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.531610 (E_RNA)
where:
Base-Base interactions energy: -116.289
where: short stacking energy: -50.544
Base-Backbone interact. energy: -0.279
local terms energy: -46.964053
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -9.281
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -9.278
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: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -162.406681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.406681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.406681 (E_RNA)
where:
Base-Base interactions energy: -115.140
where: short stacking energy: -46.687
Base-Backbone interact. energy: -0.166
local terms energy: -47.100961
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -9.584
flat angles C4'-P-C4' energy: -5.966
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -10.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -193.693219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.693219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.693219 (E_RNA)
where:
Base-Base interactions energy: -131.975
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.285
local terms energy: -61.433543
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -188.644920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.644920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.644920 (E_RNA)
where:
Base-Base interactions energy: -125.363
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.099
local terms energy: -63.182490
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -186.982792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.982792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.982792 (E_RNA)
where:
Base-Base interactions energy: -128.576
where: short stacking energy: -55.360
Base-Backbone interact. energy: -0.055
local terms energy: -58.352235
where:
bonds (distance) C4'-P energy: -10.242
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -186.450403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.450403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.450403 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.017
local terms energy: -62.556842
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -8.181
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -182.538758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.538758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.538758 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -57.124
Base-Backbone interact. energy: -0.248
local terms energy: -56.608798
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -9.442
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -14.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -184.935436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.935436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.935436 (E_RNA)
where:
Base-Base interactions energy: -124.249
where: short stacking energy: -55.827
Base-Backbone interact. energy: -0.000
local terms energy: -60.685734
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -9.368
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -17.554
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: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -164.767300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.767300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.767300 (E_RNA)
where:
Base-Base interactions energy: -121.597
where: short stacking energy: -54.936
Base-Backbone interact. energy: 0.457
local terms energy: -43.626914
where:
bonds (distance) C4'-P energy: -4.173
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -9.774
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -11.844
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: 6
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -166.919110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.919110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.919110 (E_RNA)
where:
Base-Base interactions energy: -113.480
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.011
local terms energy: -53.427465
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -6.183
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -158.654916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.654916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.654916 (E_RNA)
where:
Base-Base interactions energy: -117.036
where: short stacking energy: -42.582
Base-Backbone interact. energy: -0.900
local terms energy: -40.718866
where:
bonds (distance) C4'-P energy: -5.001
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.154
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -158.607113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.607113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.607113 (E_RNA)
where:
Base-Base interactions energy: -104.782
where: short stacking energy: -43.704
Base-Backbone interact. energy: -0.191
local terms energy: -53.634738
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -188.790026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.790026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.790026 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -55.598
Base-Backbone interact. energy: -0.292
local terms energy: -58.390078
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -191.155899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.155899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.155899 (E_RNA)
where:
Base-Base interactions energy: -127.892
where: short stacking energy: -60.582
Base-Backbone interact. energy: -0.028
local terms energy: -63.236477
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -190.959139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.959139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.959139 (E_RNA)
where:
Base-Base interactions energy: -130.479
where: short stacking energy: -59.548
Base-Backbone interact. energy: -0.100
local terms energy: -60.379363
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.770
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -14.012
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: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -186.105570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.105570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.105570 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -58.131
Base-Backbone interact. energy: -0.000
local terms energy: -56.427872
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.547
flat angles C4'-P-C4' energy: -7.504
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -15.154
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: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -182.025895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.025895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.025895 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -56.617
Base-Backbone interact. energy: -0.434
local terms energy: -54.710013
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -10.482
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -176.339960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.339960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.339960 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.028
local terms energy: -53.737203
where:
bonds (distance) C4'-P energy: -10.665
bonds (distance) P-C4' energy: -9.195
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -181.184255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.184255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.184255 (E_RNA)
where:
Base-Base interactions energy: -127.560
where: short stacking energy: -59.720
Base-Backbone interact. energy: 0.576
local terms energy: -54.200312
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -168.839159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.839159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.839159 (E_RNA)
where:
Base-Base interactions energy: -117.018
where: short stacking energy: -52.760
Base-Backbone interact. energy: -0.002
local terms energy: -51.819206
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -7.108
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -161.521155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.521155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.521155 (E_RNA)
where:
Base-Base interactions energy: -110.117
where: short stacking energy: -45.414
Base-Backbone interact. energy: -0.286
local terms energy: -51.117615
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -8.037
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -10.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -159.604704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.604704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.604704 (E_RNA)
where:
Base-Base interactions energy: -115.167
where: short stacking energy: -47.262
Base-Backbone interact. energy: 1.923
local terms energy: -46.360958
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -1.301
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -199.124999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.124999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.124999 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -57.487
Base-Backbone interact. energy: -0.021
local terms energy: -56.585351
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -11.899
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: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -190.194480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.194480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.194480 (E_RNA)
where:
Base-Base interactions energy: -129.718
where: short stacking energy: -62.745
Base-Backbone interact. energy: -0.174
local terms energy: -60.301986
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -16.552
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -192.454277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.454277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.454277 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -63.261
Base-Backbone interact. energy: -0.075
local terms energy: -57.841508
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -7.419
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -184.431854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.431854 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -58.523
Base-Backbone interact. energy: -0.020
local terms energy: -56.292431
where:
bonds (distance) C4'-P energy: -8.760
bonds (distance) P-C4' energy: -10.290
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -14.081
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: 373
Temperature: 1.100000
Total energy: -180.918081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.918081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.918081 (E_RNA)
where:
Base-Base interactions energy: -124.356
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.005
local terms energy: -56.557811
where:
bonds (distance) C4'-P energy: -9.016
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -16.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -188.329152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.329152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.329152 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -61.628
Base-Backbone interact. energy: -0.005
local terms energy: -56.530338
where:
bonds (distance) C4'-P energy: -7.873
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -17.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -182.366552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.366552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.366552 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -59.414
Base-Backbone interact. energy: -0.009
local terms energy: -53.318183
where:
bonds (distance) C4'-P energy: -8.544
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -174.394326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.394326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.394326 (E_RNA)
where:
Base-Base interactions energy: -124.342
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.000
local terms energy: -50.052266
where:
bonds (distance) C4'-P energy: -3.614
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -9.467
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -163.391369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.391369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.391369 (E_RNA)
where:
Base-Base interactions energy: -114.472
where: short stacking energy: -49.655
Base-Backbone interact. energy: -0.039
local terms energy: -48.880323
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -9.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -166.809529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.809529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.809529 (E_RNA)
where:
Base-Base interactions energy: -111.325
where: short stacking energy: -45.093
Base-Backbone interact. energy: -0.321
local terms energy: -55.163552
where:
bonds (distance) C4'-P energy: -10.966
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -193.075445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.075445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.075445 (E_RNA)
where:
Base-Base interactions energy: -128.003
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.006
local terms energy: -65.066704
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -200.405569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.405569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.405569 (E_RNA)
where:
Base-Base interactions energy: -142.316
where: short stacking energy: -58.424
Base-Backbone interact. energy: -0.034
local terms energy: -58.055416
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -186.237118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.237118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.237118 (E_RNA)
where:
Base-Base interactions energy: -123.826
where: short stacking energy: -55.054
Base-Backbone interact. energy: -0.010
local terms energy: -62.401639
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -185.286127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.286127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.286127 (E_RNA)
where:
Base-Base interactions energy: -126.391
where: short stacking energy: -58.715
Base-Backbone interact. energy: -0.001
local terms energy: -58.893601
where:
bonds (distance) C4'-P energy: -9.112
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -11.275
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -189.489072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.489072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.489072 (E_RNA)
where:
Base-Base interactions energy: -130.179
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.032
local terms energy: -59.277601
where:
bonds (distance) C4'-P energy: -8.226
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -16.426
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: 6
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -180.353330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.353330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.353330 (E_RNA)
where:
Base-Base interactions energy: -125.999
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.023
local terms energy: -54.331066
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -171.698709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.698709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.698709 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -53.849
Base-Backbone interact. energy: -0.001
local terms energy: -52.003572
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -176.121616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121616 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -53.650
Base-Backbone interact. energy: -0.019
local terms energy: -56.991568
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -13.672
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: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -167.710212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.710212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.710212 (E_RNA)
where:
Base-Base interactions energy: -118.504
where: short stacking energy: -44.641
Base-Backbone interact. energy: -0.296
local terms energy: -48.909635
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -8.125
flat angles C4'-P-C4' energy: -12.560
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -165.550757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.550757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.550757 (E_RNA)
where:
Base-Base interactions energy: -113.850
where: short stacking energy: -47.915
Base-Backbone interact. energy: -0.024
local terms energy: -51.676837
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -182.900450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.900450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.900450 (E_RNA)
where:
Base-Base interactions energy: -126.846
where: short stacking energy: -55.813
Base-Backbone interact. energy: -0.031
local terms energy: -56.023470
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -9.529
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -12.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -188.369387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.369387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.369387 (E_RNA)
where:
Base-Base interactions energy: -131.022
where: short stacking energy: -61.711
Base-Backbone interact. energy: -0.009
local terms energy: -57.337806
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -191.286681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.286681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.286681 (E_RNA)
where:
Base-Base interactions energy: -135.955
where: short stacking energy: -56.500
Base-Backbone interact. energy: 0.013
local terms energy: -55.344734
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -10.103
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: 5
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -182.386099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.386099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.386099 (E_RNA)
where:
Base-Base interactions energy: -127.935
where: short stacking energy: -57.121
Base-Backbone interact. energy: -0.023
local terms energy: -54.428301
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -8.503
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -185.666029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.666029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.666029 (E_RNA)
where:
Base-Base interactions energy: -132.115
where: short stacking energy: -58.147
Base-Backbone interact. energy: -0.001
local terms energy: -53.549563
where:
bonds (distance) C4'-P energy: -10.196
bonds (distance) P-C4' energy: -11.556
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -178.805654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.805654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.805654 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.010
local terms energy: -57.268599
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -13.048
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -179.589033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.589033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.589033 (E_RNA)
where:
Base-Base interactions energy: -127.167
where: short stacking energy: -61.230
Base-Backbone interact. energy: -0.034
local terms energy: -52.387955
where:
bonds (distance) C4'-P energy: -6.823
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -173.188259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.188259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.188259 (E_RNA)
where:
Base-Base interactions energy: -122.246
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.000
local terms energy: -50.942362
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -8.708
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -12.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -170.675464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.675464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.675464 (E_RNA)
where:
Base-Base interactions energy: -122.339
where: short stacking energy: -49.913
Base-Backbone interact. energy: -0.569
local terms energy: -47.767573
where:
bonds (distance) C4'-P energy: -8.101
bonds (distance) P-C4' energy: -9.359
flat angles C4'-P-C4' energy: -11.049
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -164.525624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.525624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.525624 (E_RNA)
where:
Base-Base interactions energy: -117.004
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.859
local terms energy: -46.662541
where:
bonds (distance) C4'-P energy: -8.011
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -8.021
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: 4
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -187.436698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.436698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.436698 (E_RNA)
where:
Base-Base interactions energy: -126.500
where: short stacking energy: -60.443
Base-Backbone interact. energy: -0.003
local terms energy: -60.933698
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -8.148
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -17.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -181.871918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.871918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.871918 (E_RNA)
where:
Base-Base interactions energy: -124.986
where: short stacking energy: -48.057
Base-Backbone interact. energy: -0.449
local terms energy: -56.437033
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: -11.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -189.581349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.581349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.581349 (E_RNA)
where:
Base-Base interactions energy: -128.055
where: short stacking energy: -61.684
Base-Backbone interact. energy: -0.122
local terms energy: -61.404634
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -174.985307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.985307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.985307 (E_RNA)
where:
Base-Base interactions energy: -123.690
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.363
local terms energy: -50.932431
where:
bonds (distance) C4'-P energy: -5.208
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.555
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -14.209
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: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -188.046867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.046867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.046867 (E_RNA)
where:
Base-Base interactions energy: -134.535
where: short stacking energy: -61.876
Base-Backbone interact. energy: -0.000
local terms energy: -53.511436
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -10.894
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -176.912188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.912188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.912188 (E_RNA)
where:
Base-Base interactions energy: -124.994
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.725
local terms energy: -51.193014
where:
bonds (distance) C4'-P energy: -7.618
bonds (distance) P-C4' energy: -8.041
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -13.556
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -178.845338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.845338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.845338 (E_RNA)
where:
Base-Base interactions energy: -118.918
where: short stacking energy: -53.782
Base-Backbone interact. energy: -0.006
local terms energy: -59.921030
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.242
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: 8, replica: 3
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -167.237564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.237564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.237564 (E_RNA)
where:
Base-Base interactions energy: -115.252
where: short stacking energy: -44.813
Base-Backbone interact. energy: -0.098
local terms energy: -51.888003
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -11.191
flat angles C4'-P-C4' energy: -12.710
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -9.250
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: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -173.056717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.056717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.056717 (E_RNA)
where:
Base-Base interactions energy: -124.096
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.009
local terms energy: -48.952040
where:
bonds (distance) C4'-P energy: -7.614
bonds (distance) P-C4' energy: -10.578
flat angles C4'-P-C4' energy: -10.785
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -15.459
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: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -156.530450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.530450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.530450 (E_RNA)
where:
Base-Base interactions energy: -108.997
where: short stacking energy: -42.221
Base-Backbone interact. energy: -0.118
local terms energy: -47.415744
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -10.491
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: 4
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -190.729868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.729868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.729868 (E_RNA)
where:
Base-Base interactions energy: -129.911
where: short stacking energy: -59.752
Base-Backbone interact. energy: -0.000
local terms energy: -60.818576
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -15.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -189.058055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.058055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.058055 (E_RNA)
where:
Base-Base interactions energy: -129.496
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.008
local terms energy: -59.554213
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.405
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -185.924718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.924718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.924718 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.006
local terms energy: -60.156743
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -181.396504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.396504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.396504 (E_RNA)
where:
Base-Base interactions energy: -121.972
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.005
local terms energy: -59.419442
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -13.883
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: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -183.117228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.117228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.117228 (E_RNA)
where:
Base-Base interactions energy: -125.146
where: short stacking energy: -55.572
Base-Backbone interact. energy: -0.013
local terms energy: -57.958707
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -12.854
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: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -181.161084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.161084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.161084 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.015
local terms energy: -52.114976
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -176.472526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.472526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.472526 (E_RNA)
where:
Base-Base interactions energy: -123.179
where: short stacking energy: -53.436
Base-Backbone interact. energy: 0.632
local terms energy: -53.925010
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -169.754564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.754564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.754564 (E_RNA)
where:
Base-Base interactions energy: -118.777
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.078
local terms energy: -50.899708
where:
bonds (distance) C4'-P energy: -5.878
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -13.757
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: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -163.806226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.806226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.806226 (E_RNA)
where:
Base-Base interactions energy: -119.240
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.578
local terms energy: -43.987900
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -3.132
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -13.612
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: 377
Temperature: 1.350000
Total energy: -170.239428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.239428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.239428 (E_RNA)
where:
Base-Base interactions energy: -121.087
where: short stacking energy: -50.935
Base-Backbone interact. energy: -0.315
local terms energy: -48.837457
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -7.604
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -6.027
tors. eta vs tors. theta energy: -10.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -189.761914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.761914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.761914 (E_RNA)
where:
Base-Base interactions energy: -131.130
where: short stacking energy: -59.762
Base-Backbone interact. energy: -0.101
local terms energy: -58.531330
where:
bonds (distance) C4'-P energy: -8.840
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -191.761238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.761238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.761238 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.016
local terms energy: -57.537542
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -183.063440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.063440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.063440 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -53.341
Base-Backbone interact. energy: -0.376
local terms energy: -60.255360
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -186.358050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.358050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.358050 (E_RNA)
where:
Base-Base interactions energy: -128.191
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.005
local terms energy: -58.161990
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -179.403645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.403645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.403645 (E_RNA)
where:
Base-Base interactions energy: -126.055
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.000
local terms energy: -53.348237
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -9.842
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -14.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -172.464603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.464603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.464603 (E_RNA)
where:
Base-Base interactions energy: -112.821
where: short stacking energy: -44.385
Base-Backbone interact. energy: -0.122
local terms energy: -59.521108
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -171.836580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.836580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.836580 (E_RNA)
where:
Base-Base interactions energy: -116.565
where: short stacking energy: -50.878
Base-Backbone interact. energy: -0.293
local terms energy: -54.978043
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -3.556
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: 8, replica: 9
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -169.928861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.928861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.928861 (E_RNA)
where:
Base-Base interactions energy: -114.421
where: short stacking energy: -51.120
Base-Backbone interact. energy: -0.010
local terms energy: -55.497446
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -13.520
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: 9, replica: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -168.924649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.924649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.924649 (E_RNA)
where:
Base-Base interactions energy: -117.793
where: short stacking energy: -50.214
Base-Backbone interact. energy: -0.067
local terms energy: -51.065296
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -10.529
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -154.562275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.562275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.562275 (E_RNA)
where:
Base-Base interactions energy: -109.134
where: short stacking energy: -44.905
Base-Backbone interact. energy: -0.110
local terms energy: -45.318906
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -8.337
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -191.638485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.638485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.638485 (E_RNA)
where:
Base-Base interactions energy: -126.973
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.018
local terms energy: -64.647816
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.286
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.091
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: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -194.520481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.520481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.520481 (E_RNA)
where:
Base-Base interactions energy: -134.027
where: short stacking energy: -59.822
Base-Backbone interact. energy: -0.550
local terms energy: -59.944089
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -189.124749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.124749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.124749 (E_RNA)
where:
Base-Base interactions energy: -129.701
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.001
local terms energy: -59.422277
where:
bonds (distance) C4'-P energy: -9.498
bonds (distance) P-C4' energy: -10.865
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -187.201800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.201800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.201800 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -59.620
Base-Backbone interact. energy: -0.095
local terms energy: -61.399133
where:
bonds (distance) C4'-P energy: -10.635
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -15.193
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: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -181.685361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685361 (E_RNA)
where:
Base-Base interactions energy: -123.648
where: short stacking energy: -49.303
Base-Backbone interact. energy: -0.022
local terms energy: -58.015265
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -167.390593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.390593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.390593 (E_RNA)
where:
Base-Base interactions energy: -123.034
where: short stacking energy: -53.898
Base-Backbone interact. energy: -0.023
local terms energy: -44.333741
where:
bonds (distance) C4'-P energy: -7.704
bonds (distance) P-C4' energy: -9.997
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -4.861
tors. eta vs tors. theta energy: -12.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -164.921383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.921383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.921383 (E_RNA)
where:
Base-Base interactions energy: -113.219
where: short stacking energy: -47.860
Base-Backbone interact. energy: -0.166
local terms energy: -51.535671
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -11.158
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: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -170.172987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172987 (E_RNA)
where:
Base-Base interactions energy: -121.431
where: short stacking energy: -51.503
Base-Backbone interact. energy: -0.017
local terms energy: -48.724337
where:
bonds (distance) C4'-P energy: -3.531
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.649
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: 9, replica: 9
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -170.107753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.107753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.107753 (E_RNA)
where:
Base-Base interactions energy: -110.790
where: short stacking energy: -49.356
Base-Backbone interact. energy: -0.019
local terms energy: -59.299270
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -164.686858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.686858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.686858 (E_RNA)
where:
Base-Base interactions energy: -121.768
where: short stacking energy: -49.942
Base-Backbone interact. energy: -0.137
local terms energy: -42.781816
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -9.740
flat angles C4'-P-C4' energy: -7.345
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -191.242463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.242463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.242463 (E_RNA)
where:
Base-Base interactions energy: -128.518
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.067
local terms energy: -62.657619
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -186.711712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.711712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.711712 (E_RNA)
where:
Base-Base interactions energy: -124.219
where: short stacking energy: -57.694
Base-Backbone interact. energy: -0.001
local terms energy: -62.492138
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -10.167
tors. eta vs tors. theta energy: -14.561
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: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -191.892348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.892348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.892348 (E_RNA)
where:
Base-Base interactions energy: -128.186
where: short stacking energy: -59.137
Base-Backbone interact. energy: -0.017
local terms energy: -63.689100
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -17.835
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: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -187.721703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.721703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.721703 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -59.973
Base-Backbone interact. energy: -0.016
local terms energy: -59.256852
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -15.707
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: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -170.275979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.275979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.275979 (E_RNA)
where:
Base-Base interactions energy: -119.244
where: short stacking energy: -41.659
Base-Backbone interact. energy: -0.079
local terms energy: -50.953635
where:
bonds (distance) C4'-P energy: -9.009
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -8.015
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -186.744327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.744327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.744327 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -59.220
Base-Backbone interact. energy: -0.000
local terms energy: -56.193360
where:
bonds (distance) C4'-P energy: -10.416
bonds (distance) P-C4' energy: -10.444
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -15.275
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: 7
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -176.029088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.029088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.029088 (E_RNA)
where:
Base-Base interactions energy: -119.026
where: short stacking energy: -52.690
Base-Backbone interact. energy: -0.003
local terms energy: -57.000568
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -172.977319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.977319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.977319 (E_RNA)
where:
Base-Base interactions energy: -122.489
where: short stacking energy: -52.795
Base-Backbone interact. energy: -0.116
local terms energy: -50.372486
where:
bonds (distance) C4'-P energy: -6.282
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.152
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -164.941748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.941748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.941748 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -49.641
Base-Backbone interact. energy: -0.088
local terms energy: -48.444179
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -5.522
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -12.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -165.052020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.052020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.052020 (E_RNA)
where:
Base-Base interactions energy: -117.962
where: short stacking energy: -50.378
Base-Backbone interact. energy: -0.138
local terms energy: -46.952240
where:
bonds (distance) C4'-P energy: -10.297
bonds (distance) P-C4' energy: -4.469
flat angles C4'-P-C4' energy: -9.086
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -193.548551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.548551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.548551 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -59.664
Base-Backbone interact. energy: 0.544
local terms energy: -63.505058
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -15.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -192.306075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.306075 (E_RNA)
where:
Base-Base interactions energy: -129.528
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.002
local terms energy: -62.775993
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -17.420
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: 381
Temperature: 1.000000
Total energy: -188.509697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.509697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.509697 (E_RNA)
where:
Base-Base interactions energy: -132.206
where: short stacking energy: -56.776
Base-Backbone interact. energy: -0.006
local terms energy: -56.297736
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -177.797608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.797608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.797608 (E_RNA)
where:
Base-Base interactions energy: -121.832
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.208
local terms energy: -55.757127
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -9.569
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: 381
Temperature: 1.100000
Total energy: -179.963052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.963052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.963052 (E_RNA)
where:
Base-Base interactions energy: -123.577
where: short stacking energy: -57.969
Base-Backbone interact. energy: -0.032
local terms energy: -56.353383
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -7.303
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -182.929302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.929302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.929302 (E_RNA)
where:
Base-Base interactions energy: -128.315
where: short stacking energy: -60.513
Base-Backbone interact. energy: -0.008
local terms energy: -54.606155
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.362
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: 7
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -169.204967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.204967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.204967 (E_RNA)
where:
Base-Base interactions energy: -118.762
where: short stacking energy: -55.639
Base-Backbone interact. energy: -0.829
local terms energy: -49.614179
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -8.773
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -13.995
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: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -161.550515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.550515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.550515 (E_RNA)
where:
Base-Base interactions energy: -111.313
where: short stacking energy: -45.458
Base-Backbone interact. energy: -0.447
local terms energy: -49.791048
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -9.198
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -169.015993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.015993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.015993 (E_RNA)
where:
Base-Base interactions energy: -116.296
where: short stacking energy: -52.717
Base-Backbone interact. energy: -0.001
local terms energy: -52.719076
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -13.409
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -165.863996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.863996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.863996 (E_RNA)
where:
Base-Base interactions energy: -119.606
where: short stacking energy: -51.877
Base-Backbone interact. energy: -0.227
local terms energy: -46.030773
where:
bonds (distance) C4'-P energy: -6.247
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -193.377671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.377671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.377671 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.006
local terms energy: -59.848276
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -15.899
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: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -188.013922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.013922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.013922 (E_RNA)
where:
Base-Base interactions energy: -132.445
where: short stacking energy: -60.157
Base-Backbone interact. energy: 0.705
local terms energy: -56.274658
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -12.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -183.822274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.822274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.822274 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -56.003
Base-Backbone interact. energy: -0.044
local terms energy: -55.073611
where:
bonds (distance) C4'-P energy: -8.461
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -185.062558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.062558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.062558 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.008
local terms energy: -55.940481
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -13.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -180.874371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.874371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.874371 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.003
local terms energy: -57.775467
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -14.719
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: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -181.117373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.117373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.117373 (E_RNA)
where:
Base-Base interactions energy: -124.743
where: short stacking energy: -55.594
Base-Backbone interact. energy: -0.025
local terms energy: -56.349367
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -169.778099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.778099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.778099 (E_RNA)
where:
Base-Base interactions energy: -118.579
where: short stacking energy: -55.518
Base-Backbone interact. energy: -0.167
local terms energy: -51.032783
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -170.756808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.756808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.756808 (E_RNA)
where:
Base-Base interactions energy: -118.429
where: short stacking energy: -55.274
Base-Backbone interact. energy: -0.002
local terms energy: -52.325901
where:
bonds (distance) C4'-P energy: -7.584
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -11.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -181.273950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.273950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.273950 (E_RNA)
where:
Base-Base interactions energy: -126.533
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.000
local terms energy: -54.740214
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -7.613
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -16.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -155.966303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.966303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.966303 (E_RNA)
where:
Base-Base interactions energy: -104.682
where: short stacking energy: -41.081
Base-Backbone interact. energy: -0.171
local terms energy: -51.113394
where:
bonds (distance) C4'-P energy: -10.304
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -10.875
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: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -187.508974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.508974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.508974 (E_RNA)
where:
Base-Base interactions energy: -124.555
where: short stacking energy: -58.349
Base-Backbone interact. energy: 0.189
local terms energy: -63.143062
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -188.837269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.837269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.837269 (E_RNA)
where:
Base-Base interactions energy: -130.356
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.025
local terms energy: -58.456023
where:
bonds (distance) C4'-P energy: -9.795
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -190.128844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.128844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.128844 (E_RNA)
where:
Base-Base interactions energy: -131.378
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.001
local terms energy: -58.750003
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -181.686845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.686845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.686845 (E_RNA)
where:
Base-Base interactions energy: -120.554
where: short stacking energy: -56.940
Base-Backbone interact. energy: -0.042
local terms energy: -61.090980
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -11.010
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -14.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -180.966644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.966644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.966644 (E_RNA)
where:
Base-Base interactions energy: -125.589
where: short stacking energy: -58.153
Base-Backbone interact. energy: -0.003
local terms energy: -55.374654
where:
bonds (distance) C4'-P energy: -6.218
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -13.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -178.044683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.044683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.044683 (E_RNA)
where:
Base-Base interactions energy: -122.812
where: short stacking energy: -58.518
Base-Backbone interact. energy: -0.009
local terms energy: -55.223565
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -8.518
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -16.070
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: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -179.270449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.270449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.270449 (E_RNA)
where:
Base-Base interactions energy: -118.164
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.163
local terms energy: -60.943499
where:
bonds (distance) C4'-P energy: -9.252
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -16.095
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: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -173.388145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.388145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.388145 (E_RNA)
where:
Base-Base interactions energy: -123.500
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.001
local terms energy: -49.887205
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -4.647
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -164.170494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.170494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.170494 (E_RNA)
where:
Base-Base interactions energy: -120.436
where: short stacking energy: -49.149
Base-Backbone interact. energy: 0.264
local terms energy: -43.998481
where:
bonds (distance) C4'-P energy: -10.011
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -4.688
tors. eta vs tors. theta energy: -8.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -180.298089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.298089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.298089 (E_RNA)
where:
Base-Base interactions energy: -119.435
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.000
local terms energy: -60.863428
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -14.721
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: 10
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -195.924352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.924352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.924352 (E_RNA)
where:
Base-Base interactions energy: -132.709
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.021
local terms energy: -63.194237
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -7.900
tors. eta vs tors. theta energy: -16.560
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -190.258857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.258857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.258857 (E_RNA)
where:
Base-Base interactions energy: -135.825
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.005
local terms energy: -54.428604
where:
bonds (distance) C4'-P energy: -6.464
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -184.848724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.848724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.848724 (E_RNA)
where:
Base-Base interactions energy: -124.703
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.000
local terms energy: -60.145808
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.001
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -192.881529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.881529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.881529 (E_RNA)
where:
Base-Base interactions energy: -125.380
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.020
local terms energy: -67.481806
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -186.617237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.617237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.617237 (E_RNA)
where:
Base-Base interactions energy: -130.904
where: short stacking energy: -63.350
Base-Backbone interact. energy: 0.884
local terms energy: -56.597576
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -166.955548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.955548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.955548 (E_RNA)
where:
Base-Base interactions energy: -115.639
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.302
local terms energy: -51.014102
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -7.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -173.877188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.877188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.877188 (E_RNA)
where:
Base-Base interactions energy: -119.580
where: short stacking energy: -52.816
Base-Backbone interact. energy: -0.001
local terms energy: -54.296156
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -4.968
tors. eta vs tors. theta energy: -14.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -171.097095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.097095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.097095 (E_RNA)
where:
Base-Base interactions energy: -115.919
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.000
local terms energy: -55.177478
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -159.528714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.528714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.528714 (E_RNA)
where:
Base-Base interactions energy: -116.914
where: short stacking energy: -42.650
Base-Backbone interact. energy: -0.435
local terms energy: -42.180092
where:
bonds (distance) C4'-P energy: -8.014
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -6.077
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -10.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -166.314496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.314496 (E_RNA)
where:
Base-Base interactions energy: -115.560
where: short stacking energy: -46.192
Base-Backbone interact. energy: -0.118
local terms energy: -50.636790
where:
bonds (distance) C4'-P energy: -4.375
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -12.669
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: 10
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -194.061088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.061088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.061088 (E_RNA)
where:
Base-Base interactions energy: -132.543
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.036
local terms energy: -61.482535
where:
bonds (distance) C4'-P energy: -9.000
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -188.267222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.267222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.267222 (E_RNA)
where:
Base-Base interactions energy: -134.337
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.003
local terms energy: -53.927115
where:
bonds (distance) C4'-P energy: -5.830
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -14.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -187.396858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.396858 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -57.485
Base-Backbone interact. energy: -0.001
local terms energy: -59.533619
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -12.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -177.650758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.650758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.650758 (E_RNA)
where:
Base-Base interactions energy: -122.161
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.234
local terms energy: -55.255405
where:
bonds (distance) C4'-P energy: -10.346
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -178.406043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.406043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.406043 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.095
local terms energy: -56.271985
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -13.543
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: 385
Temperature: 1.150000
Total energy: -167.805420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.805420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.805420 (E_RNA)
where:
Base-Base interactions energy: -113.390
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.032
local terms energy: -54.382914
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -173.212881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.212881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.212881 (E_RNA)
where:
Base-Base interactions energy: -117.482
where: short stacking energy: -52.510
Base-Backbone interact. energy: -0.056
local terms energy: -55.674898
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -12.240
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: 1
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -170.572522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.572522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.572522 (E_RNA)
where:
Base-Base interactions energy: -119.672
where: short stacking energy: -53.081
Base-Backbone interact. energy: 0.749
local terms energy: -51.648850
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -8.227
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -163.562094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.562094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.562094 (E_RNA)
where:
Base-Base interactions energy: -113.950
where: short stacking energy: -49.547
Base-Backbone interact. energy: -0.503
local terms energy: -49.108833
where:
bonds (distance) C4'-P energy: -8.774
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -10.140
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: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -176.692654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.692654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.692654 (E_RNA)
where:
Base-Base interactions energy: -121.770
where: short stacking energy: -56.072
Base-Backbone interact. energy: -0.001
local terms energy: -54.921341
where:
bonds (distance) C4'-P energy: -9.320
bonds (distance) P-C4' energy: -8.956
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -15.590
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: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -193.572866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.572866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.572866 (E_RNA)
where:
Base-Base interactions energy: -132.104
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.079
local terms energy: -61.389485
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -16.206
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: 2, replica: 10
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -191.583389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.583389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.583389 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -59.473
Base-Backbone interact. energy: -0.174
local terms energy: -64.099255
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -15.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -182.661036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.661036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.661036 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.001
local terms energy: -55.723741
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -7.325
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -186.988438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.988438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.988438 (E_RNA)
where:
Base-Base interactions energy: -128.604
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.014
local terms energy: -58.370693
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -181.092431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.092431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.092431 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.015
local terms energy: -56.257007
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -14.238
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: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -175.710204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.710204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.710204 (E_RNA)
where:
Base-Base interactions energy: -119.079
where: short stacking energy: -51.786
Base-Backbone interact. energy: -0.001
local terms energy: -56.630071
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -14.450
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: 7, replica: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -169.392248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.392248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.392248 (E_RNA)
where:
Base-Base interactions energy: -114.697
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.021
local terms energy: -54.673688
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -12.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -176.111685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.111685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.111685 (E_RNA)
where:
Base-Base interactions energy: -119.288
where: short stacking energy: -52.595
Base-Backbone interact. energy: -0.575
local terms energy: -56.249080
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -8.721
flat angles C4'-P-C4' energy: -11.749
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -167.453664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.453664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.453664 (E_RNA)
where:
Base-Base interactions energy: -114.256
where: short stacking energy: -51.344
Base-Backbone interact. energy: -0.000
local terms energy: -53.197418
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -2.175
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -155.015542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.015542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.015542 (E_RNA)
where:
Base-Base interactions energy: -113.489
where: short stacking energy: -43.567
Base-Backbone interact. energy: -0.090
local terms energy: -41.437241
where:
bonds (distance) C4'-P energy: -5.497
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -192.878285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.878285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.878285 (E_RNA)
where:
Base-Base interactions energy: -133.205
where: short stacking energy: -59.517
Base-Backbone interact. energy: -0.001
local terms energy: -59.672884
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -14.745
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: 3
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -188.562109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.562109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.562109 (E_RNA)
where:
Base-Base interactions energy: -127.478
where: short stacking energy: -53.987
Base-Backbone interact. energy: -0.363
local terms energy: -60.721192
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -9.095
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -15.958
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: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -185.135080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.135080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.135080 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -55.873
Base-Backbone interact. energy: 0.733
local terms energy: -58.537617
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -190.482663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482663 (E_RNA)
where:
Base-Base interactions energy: -129.921
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.085
local terms energy: -60.475884
where:
bonds (distance) C4'-P energy: -9.183
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -181.781051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.781051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.781051 (E_RNA)
where:
Base-Base interactions energy: -127.222
where: short stacking energy: -60.978
Base-Backbone interact. energy: -0.174
local terms energy: -54.384898
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -10.175
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -13.225
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: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -169.393005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.393005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.393005 (E_RNA)
where:
Base-Base interactions energy: -116.775
where: short stacking energy: -48.734
Base-Backbone interact. energy: -0.285
local terms energy: -52.333264
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -12.612
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: 2
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -172.775478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.775478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.775478 (E_RNA)
where:
Base-Base interactions energy: -129.016
where: short stacking energy: -50.748
Base-Backbone interact. energy: -0.015
local terms energy: -43.744523
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -7.286
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -6.780
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: 7
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -167.801979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.801979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.801979 (E_RNA)
where:
Base-Base interactions energy: -116.046
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.003
local terms energy: -51.753014
where:
bonds (distance) C4'-P energy: -6.351
bonds (distance) P-C4' energy: -11.416
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -12.755
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: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -165.471104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.471104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.471104 (E_RNA)
where:
Base-Base interactions energy: -118.670
where: short stacking energy: -51.865
Base-Backbone interact. energy: -0.044
local terms energy: -46.757266
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -8.301
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -14.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -159.227258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.227258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.227258 (E_RNA)
where:
Base-Base interactions energy: -112.525
where: short stacking energy: -42.700
Base-Backbone interact. energy: -0.138
local terms energy: -46.564242
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -7.586
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -191.448630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.448630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.448630 (E_RNA)
where:
Base-Base interactions energy: -134.909
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.048
local terms energy: -56.491883
where:
bonds (distance) C4'-P energy: -10.350
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -194.581569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.581569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.581569 (E_RNA)
where:
Base-Base interactions energy: -138.646
where: short stacking energy: -56.899
Base-Backbone interact. energy: -0.023
local terms energy: -55.912459
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -183.280642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.280642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.280642 (E_RNA)
where:
Base-Base interactions energy: -123.145
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.611
local terms energy: -59.524397
where:
bonds (distance) C4'-P energy: -9.533
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -188.987303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.987303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.987303 (E_RNA)
where:
Base-Base interactions energy: -130.437
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.125
local terms energy: -58.424858
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -14.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -176.468185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.468185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.468185 (E_RNA)
where:
Base-Base interactions energy: -124.976
where: short stacking energy: -58.275
Base-Backbone interact. energy: -0.140
local terms energy: -51.352729
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -172.910544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.910544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.910544 (E_RNA)
where:
Base-Base interactions energy: -120.647
where: short stacking energy: -51.999
Base-Backbone interact. energy: -0.179
local terms energy: -52.084595
where:
bonds (distance) C4'-P energy: -8.449
bonds (distance) P-C4' energy: -7.547
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -15.059
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: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -167.917622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.917622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.917622 (E_RNA)
where:
Base-Base interactions energy: -114.772
where: short stacking energy: -46.110
Base-Backbone interact. energy: -0.038
local terms energy: -53.108023
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -11.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -167.122659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.122659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.122659 (E_RNA)
where:
Base-Base interactions energy: -119.808
where: short stacking energy: -46.555
Base-Backbone interact. energy: -0.026
local terms energy: -47.288446
where:
bonds (distance) C4'-P energy: -7.420
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -11.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -163.133063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.133063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.133063 (E_RNA)
where:
Base-Base interactions energy: -118.335
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.049
local terms energy: -44.748853
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -9.034
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -5.086
tors. eta vs tors. theta energy: -11.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -155.676853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.676853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.676853 (E_RNA)
where:
Base-Base interactions energy: -106.648
where: short stacking energy: -46.400
Base-Backbone interact. energy: -0.706
local terms energy: -48.323434
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -3.935
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -10.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -189.652289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.652289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.652289 (E_RNA)
where:
Base-Base interactions energy: -128.225
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.124
local terms energy: -61.302780
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -10.792
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: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -191.642678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.642678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.642678 (E_RNA)
where:
Base-Base interactions energy: -138.969
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.003
local terms energy: -52.670844
where:
bonds (distance) C4'-P energy: -11.427
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -195.450005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.450005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.450005 (E_RNA)
where:
Base-Base interactions energy: -131.146
where: short stacking energy: -59.788
Base-Backbone interact. energy: -0.070
local terms energy: -64.233457
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -17.585
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: 389
Temperature: 1.050000
Total energy: -179.317001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317001 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -52.381
Base-Backbone interact. energy: -0.098
local terms energy: -58.023419
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -188.926897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.926897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.926897 (E_RNA)
where:
Base-Base interactions energy: -127.009
where: short stacking energy: -58.804
Base-Backbone interact. energy: -0.047
local terms energy: -61.870430
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -11.916
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -187.348815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.348815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.348815 (E_RNA)
where:
Base-Base interactions energy: -131.843
where: short stacking energy: -55.653
Base-Backbone interact. energy: -0.024
local terms energy: -55.482139
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -9.811
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -171.578472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.578472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.578472 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -57.008
Base-Backbone interact. energy: -0.113
local terms energy: -45.319127
where:
bonds (distance) C4'-P energy: -9.277
bonds (distance) P-C4' energy: -10.888
flat angles C4'-P-C4' energy: -6.317
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -165.926823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.926823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.926823 (E_RNA)
where:
Base-Base interactions energy: -116.436
where: short stacking energy: -50.293
Base-Backbone interact. energy: -0.124
local terms energy: -49.367169
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -7.430
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: 9, replica: 2
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -158.044269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.044269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.044269 (E_RNA)
where:
Base-Base interactions energy: -104.330
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.307
local terms energy: -53.407418
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -9.663
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: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -167.337626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.337626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.337626 (E_RNA)
where:
Base-Base interactions energy: -114.574
where: short stacking energy: -50.028
Base-Backbone interact. energy: -0.096
local terms energy: -52.667370
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -197.399766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.399766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.399766 (E_RNA)
where:
Base-Base interactions energy: -142.000
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.030
local terms energy: -55.369652
where:
bonds (distance) C4'-P energy: -11.041
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -10.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -190.842433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842433 (E_RNA)
where:
Base-Base interactions energy: -130.654
where: short stacking energy: -56.294
Base-Backbone interact. energy: -0.000
local terms energy: -60.188003
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -185.292705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.292705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.292705 (E_RNA)
where:
Base-Base interactions energy: -130.045
where: short stacking energy: -61.411
Base-Backbone interact. energy: -0.003
local terms energy: -55.245054
where:
bonds (distance) C4'-P energy: -10.039
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.161
tors. eta vs tors. theta energy: -15.782
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -179.022921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.022921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.022921 (E_RNA)
where:
Base-Base interactions energy: -127.302
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.574
local terms energy: -51.146316
where:
bonds (distance) C4'-P energy: -8.052
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -13.906
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -180.481899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.481899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.481899 (E_RNA)
where:
Base-Base interactions energy: -120.757
where: short stacking energy: -53.826
Base-Backbone interact. energy: -0.011
local terms energy: -59.713849
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -15.474
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: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -176.335678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.335678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.335678 (E_RNA)
where:
Base-Base interactions energy: -119.056
where: short stacking energy: -48.391
Base-Backbone interact. energy: -0.512
local terms energy: -56.768050
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -11.516
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -169.302067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.302067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.302067 (E_RNA)
where:
Base-Base interactions energy: -119.690
where: short stacking energy: -51.834
Base-Backbone interact. energy: -0.032
local terms energy: -49.580226
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -10.175
flat angles P-C4'-P energy: -2.618
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -164.711339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.711339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.711339 (E_RNA)
where:
Base-Base interactions energy: -114.479
where: short stacking energy: -47.458
Base-Backbone interact. energy: -0.021
local terms energy: -50.212227
where:
bonds (distance) C4'-P energy: -8.192
bonds (distance) P-C4' energy: -10.727
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -10.267
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: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -169.585981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.585981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.585981 (E_RNA)
where:
Base-Base interactions energy: -114.112
where: short stacking energy: -50.209
Base-Backbone interact. energy: -0.002
local terms energy: -55.472096
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -11.889
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: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -156.182342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.182342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.182342 (E_RNA)
where:
Base-Base interactions energy: -110.341
where: short stacking energy: -44.463
Base-Backbone interact. energy: -0.472
local terms energy: -45.369776
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -8.065
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -12.731
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -198.846868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.846868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.846868 (E_RNA)
where:
Base-Base interactions energy: -143.063
where: short stacking energy: -55.083
Base-Backbone interact. energy: -0.018
local terms energy: -55.766064
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -189.049381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049381 (E_RNA)
where:
Base-Base interactions energy: -128.692
where: short stacking energy: -53.183
Base-Backbone interact. energy: -0.000
local terms energy: -60.356920
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -191.314031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.314031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.314031 (E_RNA)
where:
Base-Base interactions energy: -130.649
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.000
local terms energy: -60.664256
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -181.347781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.347781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.347781 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.028
local terms energy: -58.060229
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -170.036811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.036811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.036811 (E_RNA)
where:
Base-Base interactions energy: -115.667
where: short stacking energy: -47.953
Base-Backbone interact. energy: -1.244
local terms energy: -53.126402
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -10.579
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: 391
Temperature: 1.150000
Total energy: -178.733824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.733824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.733824 (E_RNA)
where:
Base-Base interactions energy: -120.523
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.008
local terms energy: -58.202937
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -173.510592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.510592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.510592 (E_RNA)
where:
Base-Base interactions energy: -118.598
where: short stacking energy: -50.129
Base-Backbone interact. energy: -0.180
local terms energy: -54.732652
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -14.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -169.900407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.900407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.900407 (E_RNA)
where:
Base-Base interactions energy: -120.502
where: short stacking energy: -49.867
Base-Backbone interact. energy: -0.016
local terms energy: -49.383138
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -9.667
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -11.606
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: 8
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -167.548185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.548185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.548185 (E_RNA)
where:
Base-Base interactions energy: -115.990
where: short stacking energy: -56.196
Base-Backbone interact. energy: -0.022
local terms energy: -51.536462
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -14.627
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: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -159.643293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.643293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.643293 (E_RNA)
where:
Base-Base interactions energy: -116.724
where: short stacking energy: -52.731
Base-Backbone interact. energy: 1.143
local terms energy: -44.062686
where:
bonds (distance) C4'-P energy: -7.261
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -7.344
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -11.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -194.788631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.788631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.788631 (E_RNA)
where:
Base-Base interactions energy: -135.407
where: short stacking energy: -63.700
Base-Backbone interact. energy: -0.000
local terms energy: -59.381614
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -194.862446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.862446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.862446 (E_RNA)
where:
Base-Base interactions energy: -141.160
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.090
local terms energy: -53.612203
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -9.554
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: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -191.870424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.870424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.870424 (E_RNA)
where:
Base-Base interactions energy: -131.819
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.002
local terms energy: -60.049931
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -11.805
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -14.599
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: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -185.481034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.481034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.481034 (E_RNA)
where:
Base-Base interactions energy: -128.819
where: short stacking energy: -59.394
Base-Backbone interact. energy: 0.065
local terms energy: -56.727779
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -7.625
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -182.882887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.882887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.882887 (E_RNA)
where:
Base-Base interactions energy: -130.147
where: short stacking energy: -59.977
Base-Backbone interact. energy: -0.000
local terms energy: -52.735220
where:
bonds (distance) C4'-P energy: -7.368
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -17.344
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: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -167.770279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.770279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.770279 (E_RNA)
where:
Base-Base interactions energy: -114.342
where: short stacking energy: -45.700
Base-Backbone interact. energy: -0.015
local terms energy: -53.413283
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -10.095
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -170.568587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.568587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.568587 (E_RNA)
where:
Base-Base interactions energy: -118.485
where: short stacking energy: -52.013
Base-Backbone interact. energy: -0.028
local terms energy: -52.055256
where:
bonds (distance) C4'-P energy: -9.116
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -10.413
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -11.070
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: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -178.926605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.926605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.926605 (E_RNA)
where:
Base-Base interactions energy: -126.173
where: short stacking energy: -51.216
Base-Backbone interact. energy: -0.009
local terms energy: -52.744777
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -170.517284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.517284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.517284 (E_RNA)
where:
Base-Base interactions energy: -120.013
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.051
local terms energy: -50.452897
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -168.497514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.497514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.497514 (E_RNA)
where:
Base-Base interactions energy: -117.508
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.048
local terms energy: -50.941881
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -12.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -199.205308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.205308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.205308 (E_RNA)
where:
Base-Base interactions energy: -134.759
where: short stacking energy: -60.768
Base-Backbone interact. energy: -0.001
local terms energy: -64.445979
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -16.147
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: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -195.111039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.111039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.111039 (E_RNA)
where:
Base-Base interactions energy: -141.811
where: short stacking energy: -51.851
Base-Backbone interact. energy: -0.630
local terms energy: -52.670446
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -190.074898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.074898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.074898 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -62.108
Base-Backbone interact. energy: -0.002
local terms energy: -58.130030
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -8.458
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -16.376
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: 9
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -184.285457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.285457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.285457 (E_RNA)
where:
Base-Base interactions energy: -126.826
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.003
local terms energy: -57.456586
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -15.576
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: 3
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -178.709457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.709457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.709457 (E_RNA)
where:
Base-Base interactions energy: -120.530
where: short stacking energy: -50.297
Base-Backbone interact. energy: -0.501
local terms energy: -57.678575
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -12.258
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: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -178.561840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.561840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.561840 (E_RNA)
where:
Base-Base interactions energy: -126.879
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.001
local terms energy: -51.681343
where:
bonds (distance) C4'-P energy: -6.497
bonds (distance) P-C4' energy: -12.345
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -13.685
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: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -172.324711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.324711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.324711 (E_RNA)
where:
Base-Base interactions energy: -121.214
where: short stacking energy: -52.768
Base-Backbone interact. energy: -0.087
local terms energy: -51.024010
where:
bonds (distance) C4'-P energy: -10.376
bonds (distance) P-C4' energy: -6.550
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -175.822223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.822223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.822223 (E_RNA)
where:
Base-Base interactions energy: -121.342
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.007
local terms energy: -54.473068
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -6.607
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -168.038836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.038836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.038836 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -53.258
Base-Backbone interact. energy: -0.001
local terms energy: -53.112430
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: -11.809
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: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -162.342269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.342269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.342269 (E_RNA)
where:
Base-Base interactions energy: -112.025
where: short stacking energy: -49.932
Base-Backbone interact. energy: 2.109
local terms energy: -52.426032
where:
bonds (distance) C4'-P energy: -6.260
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -196.980878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.980878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.980878 (E_RNA)
where:
Base-Base interactions energy: -143.200
where: short stacking energy: -55.363
Base-Backbone interact. energy: 0.182
local terms energy: -53.963040
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -188.153268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.153268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.153268 (E_RNA)
where:
Base-Base interactions energy: -127.828
where: short stacking energy: -59.131
Base-Backbone interact. energy: 0.785
local terms energy: -61.110233
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -188.116771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.116771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.116771 (E_RNA)
where:
Base-Base interactions energy: -129.483
where: short stacking energy: -59.815
Base-Backbone interact. energy: 1.535
local terms energy: -60.168627
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -14.608
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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -186.115371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.115371 (E_RNA)
where:
Base-Base interactions energy: -126.027
where: short stacking energy: -53.814
Base-Backbone interact. energy: -0.029
local terms energy: -60.059764
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -177.789650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.789650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.789650 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -58.642
Base-Backbone interact. energy: -0.003
local terms energy: -54.810304
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -9.580
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -174.619734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.619734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.619734 (E_RNA)
where:
Base-Base interactions energy: -114.183
where: short stacking energy: -54.387
Base-Backbone interact. energy: -0.136
local terms energy: -60.301428
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -176.211950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.211950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.211950 (E_RNA)
where:
Base-Base interactions energy: -118.974
where: short stacking energy: -47.408
Base-Backbone interact. energy: -0.001
local terms energy: -57.237211
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -14.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -168.027929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.027929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.027929 (E_RNA)
where:
Base-Base interactions energy: -113.404
where: short stacking energy: -47.557
Base-Backbone interact. energy: -0.051
local terms energy: -54.572676
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -10.900
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: 2
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -169.695537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.695537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.695537 (E_RNA)
where:
Base-Base interactions energy: -113.921
where: short stacking energy: -52.120
Base-Backbone interact. energy: -0.588
local terms energy: -55.187285
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -7.077
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -109.500860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.500860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.500860 (E_RNA)
where:
Base-Base interactions energy: -72.117
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.115
local terms energy: -37.268650
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -8.212
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -5.301
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: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -196.105134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.105134 (E_RNA)
where:
Base-Base interactions energy: -141.758
where: short stacking energy: -55.415
Base-Backbone interact. energy: 0.491
local terms energy: -54.837800
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -9.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -192.143708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.143708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.143708 (E_RNA)
where:
Base-Base interactions energy: -129.094
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.006
local terms energy: -63.043333
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -183.703504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.703504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.703504 (E_RNA)
where:
Base-Base interactions energy: -124.253
where: short stacking energy: -56.664
Base-Backbone interact. energy: -0.002
local terms energy: -59.449296
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -11.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -188.948997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.948997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.948997 (E_RNA)
where:
Base-Base interactions energy: -127.576
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.441
local terms energy: -60.931565
where:
bonds (distance) C4'-P energy: -10.172
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -16.790
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: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -185.666411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.666411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.666411 (E_RNA)
where:
Base-Base interactions energy: -130.827
where: short stacking energy: -59.143
Base-Backbone interact. energy: -0.002
local terms energy: -54.837394
where:
bonds (distance) C4'-P energy: -7.990
bonds (distance) P-C4' energy: -11.515
flat angles C4'-P-C4' energy: -12.665
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -180.579490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.579490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.579490 (E_RNA)
where:
Base-Base interactions energy: -127.648
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.209
local terms energy: -52.723023
where:
bonds (distance) C4'-P energy: -11.493
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -176.351467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.351467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.351467 (E_RNA)
where:
Base-Base interactions energy: -130.022
where: short stacking energy: -54.502
Base-Backbone interact. energy: -0.627
local terms energy: -45.702918
where:
bonds (distance) C4'-P energy: -7.957
bonds (distance) P-C4' energy: -11.422
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -9.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -174.851444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.851444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.851444 (E_RNA)
where:
Base-Base interactions energy: -117.946
where: short stacking energy: -51.549
Base-Backbone interact. energy: -0.000
local terms energy: -56.905333
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -14.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -169.799078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.799078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.799078 (E_RNA)
where:
Base-Base interactions energy: -122.409
where: short stacking energy: -53.757
Base-Backbone interact. energy: 0.830
local terms energy: -48.220126
where:
bonds (distance) C4'-P energy: -7.121
bonds (distance) P-C4' energy: -8.053
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -100.865585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865585 (E_RNA)
where:
Base-Base interactions energy: -68.163
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.140
local terms energy: -32.563395
where:
bonds (distance) C4'-P energy: -3.752
bonds (distance) P-C4' energy: -7.824
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -4.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -195.594688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.594688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.594688 (E_RNA)
where:
Base-Base interactions energy: -140.834
where: short stacking energy: -52.950
Base-Backbone interact. energy: -1.214
local terms energy: -53.546414
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -191.567169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.567169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.567169 (E_RNA)
where:
Base-Base interactions energy: -132.991
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.019
local terms energy: -58.556455
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -191.151228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.151228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.151228 (E_RNA)
where:
Base-Base interactions energy: -129.017
where: short stacking energy: -60.695
Base-Backbone interact. energy: -0.028
local terms energy: -62.105373
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -16.628
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: 5
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -182.046445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.046445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.046445 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.002
local terms energy: -58.554749
where:
bonds (distance) C4'-P energy: -9.037
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -11.099
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -16.086
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: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -180.296918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.296918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.296918 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -50.829
Base-Backbone interact. energy: -0.911
local terms energy: -53.320335
where:
bonds (distance) C4'-P energy: -8.272
bonds (distance) P-C4' energy: -9.578
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -12.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -175.154520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.154520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.154520 (E_RNA)
where:
Base-Base interactions energy: -115.993
where: short stacking energy: -49.584
Base-Backbone interact. energy: -0.001
local terms energy: -59.160711
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -178.458103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.458103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.458103 (E_RNA)
where:
Base-Base interactions energy: -124.786
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.005
local terms energy: -53.667163
where:
bonds (distance) C4'-P energy: -6.645
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -184.003526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.003526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.003526 (E_RNA)
where:
Base-Base interactions energy: -129.235
where: short stacking energy: -59.516
Base-Backbone interact. energy: -0.204
local terms energy: -54.564371
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -9.522
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -164.430195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.430195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.430195 (E_RNA)
where:
Base-Base interactions energy: -116.725
where: short stacking energy: -45.222
Base-Backbone interact. energy: -0.270
local terms energy: -47.435241
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -7.541
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -7.991
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -68.901611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.901611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.901611 (E_RNA)
where:
Base-Base interactions energy: -33.241
where: short stacking energy: -23.299
Base-Backbone interact. energy: -0.134
local terms energy: -35.526865
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: 1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -196.493288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.493288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.493288 (E_RNA)
where:
Base-Base interactions energy: -149.599
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.111
local terms energy: -46.783794
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -5.579
tors. eta vs tors. theta energy: -11.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -185.682039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.682039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.682039 (E_RNA)
where:
Base-Base interactions energy: -123.950
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.007
local terms energy: -61.725197
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -191.257104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.257104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.257104 (E_RNA)
where:
Base-Base interactions energy: -131.242
where: short stacking energy: -59.004
Base-Backbone interact. energy: -0.001
local terms energy: -60.014412
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -6.639
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: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -179.211913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.211913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.211913 (E_RNA)
where:
Base-Base interactions energy: -128.372
where: short stacking energy: -51.195
Base-Backbone interact. energy: 0.134
local terms energy: -50.974583
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -186.432078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.432078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.432078 (E_RNA)
where:
Base-Base interactions energy: -125.581
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.163
local terms energy: -60.688850
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -177.892007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.892007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892007 (E_RNA)
where:
Base-Base interactions energy: -123.377
where: short stacking energy: -55.562
Base-Backbone interact. energy: -0.000
local terms energy: -54.514709
where:
bonds (distance) C4'-P energy: -5.800
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.270
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: 1
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -182.112327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.112327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.112327 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -52.632
Base-Backbone interact. energy: -0.003
local terms energy: -57.272634
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -166.160023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.160023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.160023 (E_RNA)
where:
Base-Base interactions energy: -119.263
where: short stacking energy: -51.714
Base-Backbone interact. energy: -0.017
local terms energy: -46.880114
where:
bonds (distance) C4'-P energy: -4.454
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -15.304
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -171.073446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.073446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.073446 (E_RNA)
where:
Base-Base interactions energy: -113.357
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.003
local terms energy: -57.714189
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -9.189
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -13.977
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: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -71.360046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.360046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.360046 (E_RNA)
where:
Base-Base interactions energy: -32.029
where: short stacking energy: -24.912
Base-Backbone interact. energy: -0.582
local terms energy: -38.749250
where:
bonds (distance) C4'-P energy: -7.912
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -7.590
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -193.921518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.921518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.921518 (E_RNA)
where:
Base-Base interactions energy: -133.767
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.001
local terms energy: -60.154123
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -202.550670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.550670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.550670 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -60.256
Base-Backbone interact. energy: 0.772
local terms energy: -55.054979
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -10.962
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: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -187.189057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.189057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.189057 (E_RNA)
where:
Base-Base interactions energy: -130.040
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.057
local terms energy: -57.092276
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -188.976771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.976771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.976771 (E_RNA)
where:
Base-Base interactions energy: -135.163
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.142
local terms energy: -53.671998
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -4.100
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -164.922609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.922609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.922609 (E_RNA)
where:
Base-Base interactions energy: -113.653
where: short stacking energy: -45.139
Base-Backbone interact. energy: -0.110
local terms energy: -51.159915
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -10.428
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -9.823
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: 6, replica: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -190.095890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.095890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.095890 (E_RNA)
where:
Base-Base interactions energy: -130.902
where: short stacking energy: -57.511
Base-Backbone interact. energy: -0.001
local terms energy: -59.193704
where:
bonds (distance) C4'-P energy: -9.746
bonds (distance) P-C4' energy: -11.896
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -18.275
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: 1
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -173.371370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.371370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.371370 (E_RNA)
where:
Base-Base interactions energy: -121.619
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.090
local terms energy: -51.662637
where:
bonds (distance) C4'-P energy: -8.797
bonds (distance) P-C4' energy: -11.580
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -15.081
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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -133.707716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.707716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.707716 (E_RNA)
where:
Base-Base interactions energy: -92.460
where: short stacking energy: -32.970
Base-Backbone interact. energy: -0.008
local terms energy: -41.240071
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -8.448
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -4.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -158.280751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.280751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.280751 (E_RNA)
where:
Base-Base interactions energy: -111.673
where: short stacking energy: -48.695
Base-Backbone interact. energy: -0.007
local terms energy: -46.601148
where:
bonds (distance) C4'-P energy: -10.858
bonds (distance) P-C4' energy: -10.908
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -10.971
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: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -63.334633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.334633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.334633 (E_RNA)
where:
Base-Base interactions energy: -28.592
where: short stacking energy: -24.822
Base-Backbone interact. energy: -0.016
local terms energy: -34.726023
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -6.665
flat angles P-C4'-P energy: -3.379
tors. eta vs tors. theta energy: 0.006
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: 10
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -192.705367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.705367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.705367 (E_RNA)
where:
Base-Base interactions energy: -133.110
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.139
local terms energy: -59.456035
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -13.278
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: 399
Temperature: 0.950000
Total energy: -190.132831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.132831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.132831 (E_RNA)
where:
Base-Base interactions energy: -129.978
where: short stacking energy: -56.993
Base-Backbone interact. energy: 0.396
local terms energy: -60.551179
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -17.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -190.405831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.405831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.405831 (E_RNA)
where:
Base-Base interactions energy: -132.721
where: short stacking energy: -53.749
Base-Backbone interact. energy: -0.005
local terms energy: -57.680402
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -11.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -181.848119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.848119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.848119 (E_RNA)
where:
Base-Base interactions energy: -127.151
where: short stacking energy: -58.236
Base-Backbone interact. energy: -0.005
local terms energy: -54.692234
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -179.848053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.848053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.848053 (E_RNA)
where:
Base-Base interactions energy: -120.674
where: short stacking energy: -49.307
Base-Backbone interact. energy: -0.986
local terms energy: -58.187729
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -171.742483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.742483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.742483 (E_RNA)
where:
Base-Base interactions energy: -119.053
where: short stacking energy: -52.247
Base-Backbone interact. energy: -0.001
local terms energy: -52.687855
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -13.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -180.203116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.203116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.203116 (E_RNA)
where:
Base-Base interactions energy: -125.298
where: short stacking energy: -50.597
Base-Backbone interact. energy: -0.022
local terms energy: -54.883100
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -7.557
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: 8, replica: 7
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -163.867527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.867527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.867527 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.073
local terms energy: -43.759495
where:
bonds (distance) C4'-P energy: -3.295
bonds (distance) P-C4' energy: -9.652
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -68.849170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.849170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.849170 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -20.335
Base-Backbone interact. energy: -0.080
local terms energy: -34.173649
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -5.689
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: 1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -60.998364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.998364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.998364 (E_RNA)
where:
Base-Base interactions energy: -20.371
where: short stacking energy: -17.712
Base-Backbone interact. energy: -0.103
local terms energy: -40.523958
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -2.372
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: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -192.904945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.904945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.904945 (E_RNA)
where:
Base-Base interactions energy: -131.174
where: short stacking energy: -60.805
Base-Backbone interact. energy: -0.002
local terms energy: -61.728839
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -188.464672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.464672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.464672 (E_RNA)
where:
Base-Base interactions energy: -127.100
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.002
local terms energy: -61.362551
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -15.376
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -183.164297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.164297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.164297 (E_RNA)
where:
Base-Base interactions energy: -124.726
where: short stacking energy: -57.843
Base-Backbone interact. energy: 0.196
local terms energy: -58.634621
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -15.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -184.560386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.560386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.560386 (E_RNA)
where:
Base-Base interactions energy: -132.256
where: short stacking energy: -59.974
Base-Backbone interact. energy: -0.027
local terms energy: -52.277976
where:
bonds (distance) C4'-P energy: -7.195
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -183.398580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.398580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.398580 (E_RNA)
where:
Base-Base interactions energy: -121.780
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.008
local terms energy: -61.610109
where:
bonds (distance) C4'-P energy: -10.722
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -174.941886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.941886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.941886 (E_RNA)
where:
Base-Base interactions energy: -120.366
where: short stacking energy: -53.111
Base-Backbone interact. energy: -0.059
local terms energy: -54.516876
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -9.552
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -171.120606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.120606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.120606 (E_RNA)
where:
Base-Base interactions energy: -115.523
where: short stacking energy: -49.032
Base-Backbone interact. energy: -0.005
local terms energy: -55.593043
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -9.063
flat angles C4'-P-C4' energy: -12.282
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -15.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -179.518384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.518384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.518384 (E_RNA)
where:
Base-Base interactions energy: -122.431
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.001
local terms energy: -57.086812
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -16.783
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: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -70.796264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.796264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.796264 (E_RNA)
where:
Base-Base interactions energy: -29.532
where: short stacking energy: -17.541
Base-Backbone interact. energy: -0.019
local terms energy: -41.245193
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: 0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -66.582156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.582156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.582156 (E_RNA)
where:
Base-Base interactions energy: -33.884
where: short stacking energy: -17.977
Base-Backbone interact. energy: -0.099
local terms energy: -32.599950
where:
bonds (distance) C4'-P energy: -9.061
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -4.973
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -192.145990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.145990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.145990 (E_RNA)
where:
Base-Base interactions energy: -132.341
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.185
local terms energy: -59.619176
where:
bonds (distance) C4'-P energy: -9.290
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -14.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -188.165059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.165059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.165059 (E_RNA)
where:
Base-Base interactions energy: -132.546
where: short stacking energy: -59.025
Base-Backbone interact. energy: -0.001
local terms energy: -55.618362
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -11.935
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -187.879667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.879667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.879667 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -63.657
Base-Backbone interact. energy: -0.000
local terms energy: -57.092054
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -14.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -194.812458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.812458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.812458 (E_RNA)
where:
Base-Base interactions energy: -127.094
where: short stacking energy: -57.309
Base-Backbone interact. energy: -0.007
local terms energy: -67.711927
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -186.755379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.755379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.755379 (E_RNA)
where:
Base-Base interactions energy: -131.006
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.068
local terms energy: -55.681159
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -4.951
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -175.194709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.194709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.194709 (E_RNA)
where:
Base-Base interactions energy: -123.077
where: short stacking energy: -54.689
Base-Backbone interact. energy: -0.020
local terms energy: -52.098280
where:
bonds (distance) C4'-P energy: -7.315
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -5.900
tors. eta vs tors. theta energy: -14.350
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: 2
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -179.926234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926234 (E_RNA)
where:
Base-Base interactions energy: -122.646
where: short stacking energy: -54.533
Base-Backbone interact. energy: 0.545
local terms energy: -57.825037
where:
bonds (distance) C4'-P energy: -10.970
bonds (distance) P-C4' energy: -10.630
flat angles C4'-P-C4' energy: -10.916
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -176.806391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.806391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.806391 (E_RNA)
where:
Base-Base interactions energy: -121.770
where: short stacking energy: -53.006
Base-Backbone interact. energy: -0.702
local terms energy: -54.334405
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -68.441690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.441690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.441690 (E_RNA)
where:
Base-Base interactions energy: -36.610
where: short stacking energy: -20.405
Base-Backbone interact. energy: -0.283
local terms energy: -31.548842
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -5.624
flat angles C4'-P-C4' energy: -6.820
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: 0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -65.630171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.630171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.630171 (E_RNA)
where:
Base-Base interactions energy: -32.913
where: short stacking energy: -25.888
Base-Backbone interact. energy: -0.021
local terms energy: -32.696054
where:
bonds (distance) C4'-P energy: -6.354
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -192.987221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.987221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.987221 (E_RNA)
where:
Base-Base interactions energy: -133.234
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.000
local terms energy: -59.753297
where:
bonds (distance) C4'-P energy: -9.460
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -191.370515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.370515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.370515 (E_RNA)
where:
Base-Base interactions energy: -128.471
where: short stacking energy: -61.033
Base-Backbone interact. energy: -0.285
local terms energy: -62.615482
where:
bonds (distance) C4'-P energy: -11.555
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -190.253111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.253111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.253111 (E_RNA)
where:
Base-Base interactions energy: -128.135
where: short stacking energy: -58.142
Base-Backbone interact. energy: -0.021
local terms energy: -62.096983
where:
bonds (distance) C4'-P energy: -11.753
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -188.463952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.463952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463952 (E_RNA)
where:
Base-Base interactions energy: -125.514
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.006
local terms energy: -62.944120
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -16.816
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: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -179.169540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.169540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.169540 (E_RNA)
where:
Base-Base interactions energy: -130.202
where: short stacking energy: -57.599
Base-Backbone interact. energy: 2.234
local terms energy: -51.202012
where:
bonds (distance) C4'-P energy: -6.520
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -184.227209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.227209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.227209 (E_RNA)
where:
Base-Base interactions energy: -126.938
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.003
local terms energy: -57.286907
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -13.278
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: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -167.990270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.990270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.990270 (E_RNA)
where:
Base-Base interactions energy: -115.907
where: short stacking energy: -50.538
Base-Backbone interact. energy: -0.718
local terms energy: -51.365682
where:
bonds (distance) C4'-P energy: -6.628
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -11.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -166.781547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.781547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.781547 (E_RNA)
where:
Base-Base interactions energy: -114.537
where: short stacking energy: -48.208
Base-Backbone interact. energy: -0.012
local terms energy: -52.232829
where:
bonds (distance) C4'-P energy: -6.591
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -74.888014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.888014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.888014 (E_RNA)
where:
Base-Base interactions energy: -35.865
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.135
local terms energy: -38.888190
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -10.860
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -1.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -64.357956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.357956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.357956 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -25.041
Base-Backbone interact. energy: -0.008
local terms energy: -39.309254
where:
bonds (distance) C4'-P energy: -9.141
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -189.865542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.865542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.865542 (E_RNA)
where:
Base-Base interactions energy: -129.207
where: short stacking energy: -56.504
Base-Backbone interact. energy: -0.067
local terms energy: -60.591667
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -184.692849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.692849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.692849 (E_RNA)
where:
Base-Base interactions energy: -126.065
where: short stacking energy: -53.079
Base-Backbone interact. energy: -0.436
local terms energy: -58.192014
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -12.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -190.940992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.940992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.940992 (E_RNA)
where:
Base-Base interactions energy: -128.429
where: short stacking energy: -58.912
Base-Backbone interact. energy: -0.096
local terms energy: -62.415735
where:
bonds (distance) C4'-P energy: -8.159
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -9.263
tors. eta vs tors. theta energy: -16.897
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: 5
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -182.365024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.365024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.365024 (E_RNA)
where:
Base-Base interactions energy: -129.478
where: short stacking energy: -56.247
Base-Backbone interact. energy: 0.918
local terms energy: -53.804320
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -11.317
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: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -171.636240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.636240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.636240 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.438
local terms energy: -46.295235
where:
bonds (distance) C4'-P energy: -7.714
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -185.283957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.283957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.283957 (E_RNA)
where:
Base-Base interactions energy: -131.091
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.257
local terms energy: -53.936124
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -174.354141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.354141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.354141 (E_RNA)
where:
Base-Base interactions energy: -118.780
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.106
local terms energy: -55.467571
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -12.178
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -12.350
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: 2
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -162.337348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.337348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.337348 (E_RNA)
where:
Base-Base interactions energy: -113.012
where: short stacking energy: -44.218
Base-Backbone interact. energy: -0.087
local terms energy: -49.237832
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -8.965
flat angles P-C4'-P energy: -5.941
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -99.219760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.219760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.219760 (E_RNA)
where:
Base-Base interactions energy: -62.966
where: short stacking energy: -33.110
Base-Backbone interact. energy: -0.279
local terms energy: -35.974257
where:
bonds (distance) C4'-P energy: -3.490
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -4.829
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -70.642912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.642912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.642912 (E_RNA)
where:
Base-Base interactions energy: -26.933
where: short stacking energy: -22.450
Base-Backbone interact. energy: -0.026
local terms energy: -43.684168
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -191.685128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.685128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.685128 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -62.204
Base-Backbone interact. energy: -0.148
local terms energy: -60.368431
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -186.617529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.617529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.617529 (E_RNA)
where:
Base-Base interactions energy: -134.177
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.015
local terms energy: -52.425228
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -6.917
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: 3, replica: 5
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -192.289518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.289518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.289518 (E_RNA)
where:
Base-Base interactions energy: -133.996
where: short stacking energy: -63.063
Base-Backbone interact. energy: -0.011
local terms energy: -58.282352
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -12.920
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: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -184.343977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.343977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.343977 (E_RNA)
where:
Base-Base interactions energy: -127.777
where: short stacking energy: -59.252
Base-Backbone interact. energy: -0.001
local terms energy: -56.566743
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -182.609258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.609258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.609258 (E_RNA)
where:
Base-Base interactions energy: -132.501
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.472
local terms energy: -49.637006
where:
bonds (distance) C4'-P energy: -6.318
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -9.681
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -10.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -174.767285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.767285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.767285 (E_RNA)
where:
Base-Base interactions energy: -124.105
where: short stacking energy: -46.988
Base-Backbone interact. energy: -0.193
local terms energy: -50.469382
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -9.470
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -178.719453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.719453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.719453 (E_RNA)
where:
Base-Base interactions energy: -124.294
where: short stacking energy: -55.596
Base-Backbone interact. energy: -0.001
local terms energy: -54.424680
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -6.069
tors. eta vs tors. theta energy: -16.228
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: 2
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -176.498422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.498422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.498422 (E_RNA)
where:
Base-Base interactions energy: -120.541
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.118
local terms energy: -55.839535
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -14.075
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: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -107.543671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.543671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.543671 (E_RNA)
where:
Base-Base interactions energy: -69.000
where: short stacking energy: -37.209
Base-Backbone interact. energy: -0.047
local terms energy: -38.495808
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -7.851
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -2.107
tors. eta vs tors. theta energy: -7.690
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: 6
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -67.735216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.735216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.735216 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -29.158
Base-Backbone interact. energy: -0.031
local terms energy: -38.124893
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -190.696585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.696585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.696585 (E_RNA)
where:
Base-Base interactions energy: -132.497
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.211
local terms energy: -57.988290
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -191.551469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.551469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.551469 (E_RNA)
where:
Base-Base interactions energy: -133.513
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.038
local terms energy: -57.999987
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -10.795
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -12.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -184.309478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.309478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.309478 (E_RNA)
where:
Base-Base interactions energy: -122.023
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.521
local terms energy: -61.765362
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -13.743
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -188.050862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.050862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.050862 (E_RNA)
where:
Base-Base interactions energy: -133.625
where: short stacking energy: -52.270
Base-Backbone interact. energy: -0.020
local terms energy: -54.406027
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -11.926
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: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -180.394853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.394853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.394853 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -53.569
Base-Backbone interact. energy: -0.039
local terms energy: -56.084453
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -13.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -181.250684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.250684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.250684 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -61.110
Base-Backbone interact. energy: -0.304
local terms energy: -54.350693
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -10.535
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -174.795081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.795081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.795081 (E_RNA)
where:
Base-Base interactions energy: -125.812
where: short stacking energy: -58.918
Base-Backbone interact. energy: -0.062
local terms energy: -48.921267
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -5.816
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -167.963481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.963481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.963481 (E_RNA)
where:
Base-Base interactions energy: -118.696
where: short stacking energy: -47.623
Base-Backbone interact. energy: -0.867
local terms energy: -48.400978
where:
bonds (distance) C4'-P energy: -6.740
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -3.800
tors. eta vs tors. theta energy: -12.612
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: 405
Temperature: 1.300000
Total energy: -69.644122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.644122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.644122 (E_RNA)
where:
Base-Base interactions energy: -24.486
where: short stacking energy: -21.693
Base-Backbone interact. energy: -0.883
local terms energy: -44.275141
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -9.831
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -1.732
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: 6
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -68.143463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.143463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.143463 (E_RNA)
where:
Base-Base interactions energy: -23.706
where: short stacking energy: -23.706
Base-Backbone interact. energy: 0.133
local terms energy: -44.570318
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -9.597
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -5.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -195.586443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.586443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.586443 (E_RNA)
where:
Base-Base interactions energy: -137.555
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.436
local terms energy: -57.595143
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -11.553
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: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -193.728041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.728041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.728041 (E_RNA)
where:
Base-Base interactions energy: -132.291
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.042
local terms energy: -61.394998
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -11.890
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -16.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -188.443045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.443045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.443045 (E_RNA)
where:
Base-Base interactions energy: -136.179
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.605
local terms energy: -51.658406
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: -10.734
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: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -190.636614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.636614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.636614 (E_RNA)
where:
Base-Base interactions energy: -128.750
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.181
local terms energy: -61.705560
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -181.172112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.172112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.172112 (E_RNA)
where:
Base-Base interactions energy: -125.276
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.037
local terms energy: -55.859256
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -11.938
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: 3
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -175.138605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.138605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.138605 (E_RNA)
where:
Base-Base interactions energy: -130.040
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.138
local terms energy: -44.960994
where:
bonds (distance) C4'-P energy: -4.107
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -177.959799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.959799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.959799 (E_RNA)
where:
Base-Base interactions energy: -129.737
where: short stacking energy: -51.058
Base-Backbone interact. energy: -0.685
local terms energy: -47.537820
where:
bonds (distance) C4'-P energy: -5.653
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -7.039
tors. eta vs tors. theta energy: -11.633
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: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -170.611561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.611561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.611561 (E_RNA)
where:
Base-Base interactions energy: -115.933
where: short stacking energy: -50.858
Base-Backbone interact. energy: -0.156
local terms energy: -54.522482
where:
bonds (distance) C4'-P energy: -6.848
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -71.599928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.599928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.599928 (E_RNA)
where:
Base-Base interactions energy: -29.396
where: short stacking energy: -24.669
Base-Backbone interact. energy: 0.827
local terms energy: -43.031579
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -3.231
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -67.653469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.653469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.653469 (E_RNA)
where:
Base-Base interactions energy: -27.681
where: short stacking energy: -25.836
Base-Backbone interact. energy: -0.308
local terms energy: -39.665129
where:
bonds (distance) C4'-P energy: -8.830
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: -0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -193.574725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.574725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.574725 (E_RNA)
where:
Base-Base interactions energy: -137.327
where: short stacking energy: -54.554
Base-Backbone interact. energy: -0.398
local terms energy: -55.850229
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -10.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -190.162895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.162895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.162895 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -53.746
Base-Backbone interact. energy: -0.460
local terms energy: -51.536164
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -12.740
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -4.922
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: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -188.957386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.957386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.957386 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -52.885
Base-Backbone interact. energy: -0.101
local terms energy: -61.857671
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -12.878
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -184.282811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.282811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.282811 (E_RNA)
where:
Base-Base interactions energy: -129.293
where: short stacking energy: -55.122
Base-Backbone interact. energy: -0.295
local terms energy: -54.694275
where:
bonds (distance) C4'-P energy: -6.239
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -183.233788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.233788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.233788 (E_RNA)
where:
Base-Base interactions energy: -128.869
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.000
local terms energy: -54.364336
where:
bonds (distance) C4'-P energy: -8.628
bonds (distance) P-C4' energy: -9.596
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -17.745
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: 3
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -174.035385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.035385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.035385 (E_RNA)
where:
Base-Base interactions energy: -120.825
where: short stacking energy: -55.303
Base-Backbone interact. energy: -0.001
local terms energy: -53.208756
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -166.297684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.297684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.297684 (E_RNA)
where:
Base-Base interactions energy: -113.536
where: short stacking energy: -46.149
Base-Backbone interact. energy: -0.051
local terms energy: -52.711240
where:
bonds (distance) C4'-P energy: -7.222
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -173.062479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.062479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.062479 (E_RNA)
where:
Base-Base interactions energy: -117.916
where: short stacking energy: -53.186
Base-Backbone interact. energy: 0.191
local terms energy: -55.338031
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -13.638
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -97.307024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.307024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.307024 (E_RNA)
where:
Base-Base interactions energy: -50.583
where: short stacking energy: -24.314
Base-Backbone interact. energy: -0.366
local terms energy: -46.357553
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -66.897001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.897001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.897001 (E_RNA)
where:
Base-Base interactions energy: -25.625
where: short stacking energy: -23.459
Base-Backbone interact. energy: -0.251
local terms energy: -41.021049
where:
bonds (distance) C4'-P energy: -8.483
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -4.489
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -6.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -197.463700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.463700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.463700 (E_RNA)
where:
Base-Base interactions energy: -140.414
where: short stacking energy: -54.160
Base-Backbone interact. energy: -0.652
local terms energy: -56.397915
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -10.641
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -12.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -191.147926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.147926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.147926 (E_RNA)
where:
Base-Base interactions energy: -136.695
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.084
local terms energy: -54.368205
where:
bonds (distance) C4'-P energy: -9.832
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -184.936406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.936406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936406 (E_RNA)
where:
Base-Base interactions energy: -125.457
where: short stacking energy: -60.857
Base-Backbone interact. energy: -0.002
local terms energy: -59.476661
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -14.745
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -186.257126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.257126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.257126 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.026
local terms energy: -61.663668
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -182.446549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.446549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.446549 (E_RNA)
where:
Base-Base interactions energy: -127.186
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.033
local terms energy: -55.227852
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -10.205
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: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -182.794521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.794521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.794521 (E_RNA)
where:
Base-Base interactions energy: -125.367
where: short stacking energy: -57.537
Base-Backbone interact. energy: -0.177
local terms energy: -57.250900
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -11.804
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -15.495
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: 408
Temperature: 1.200000
Total energy: -177.897081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.897081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.897081 (E_RNA)
where:
Base-Base interactions energy: -126.528
where: short stacking energy: -59.195
Base-Backbone interact. energy: -0.042
local terms energy: -51.327587
where:
bonds (distance) C4'-P energy: -8.595
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -178.521025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.521025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.521025 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -52.530
Base-Backbone interact. energy: -0.813
local terms energy: -54.816302
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -13.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -76.049147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.049147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.049147 (E_RNA)
where:
Base-Base interactions energy: -34.171
where: short stacking energy: -34.171
Base-Backbone interact. energy: -0.113
local terms energy: -41.764880
where:
bonds (distance) C4'-P energy: -8.814
bonds (distance) P-C4' energy: -10.845
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -101.803658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.803658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.803658 (E_RNA)
where:
Base-Base interactions energy: -67.006
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.069
local terms energy: -34.728881
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -7.571
flat angles P-C4'-P energy: -4.921
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -191.458288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.458288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.458288 (E_RNA)
where:
Base-Base interactions energy: -135.152
where: short stacking energy: -53.324
Base-Backbone interact. energy: -0.097
local terms energy: -56.208974
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -190.835240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.835240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.835240 (E_RNA)
where:
Base-Base interactions energy: -133.554
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.695
local terms energy: -56.586454
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -12.510
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -188.794825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.794825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.794825 (E_RNA)
where:
Base-Base interactions energy: -133.723
where: short stacking energy: -63.312
Base-Backbone interact. energy: -0.000
local terms energy: -55.071647
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -11.292
flat angles C4'-P-C4' energy: -9.709
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -13.673
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: 4, replica: 5
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -182.856307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.856307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.856307 (E_RNA)
where:
Base-Base interactions energy: -126.231
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.001
local terms energy: -56.624254
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -179.839428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.839428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.839428 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -57.156
Base-Backbone interact. energy: -0.281
local terms energy: -53.224300
where:
bonds (distance) C4'-P energy: -8.635
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -14.902
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: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -178.886692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.886692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.886692 (E_RNA)
where:
Base-Base interactions energy: -122.607
where: short stacking energy: -55.593
Base-Backbone interact. energy: -0.192
local terms energy: -56.087784
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -15.114
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: 409
Temperature: 1.200000
Total energy: -165.643743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.643743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.643743 (E_RNA)
where:
Base-Base interactions energy: -121.620
where: short stacking energy: -46.675
Base-Backbone interact. energy: -0.061
local terms energy: -43.963338
where:
bonds (distance) C4'-P energy: -9.146
bonds (distance) P-C4' energy: -6.878
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -8.485
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: 2
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -176.187860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.187860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.187860 (E_RNA)
where:
Base-Base interactions energy: -125.308
where: short stacking energy: -62.960
Base-Backbone interact. energy: -0.005
local terms energy: -50.874428
where:
bonds (distance) C4'-P energy: -8.264
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.034
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: 409
Temperature: 1.300000
Total energy: -65.064695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.064695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.064695 (E_RNA)
where:
Base-Base interactions energy: -28.417
where: short stacking energy: -26.181
Base-Backbone interact. energy: -0.906
local terms energy: -35.741010
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: 2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -69.574839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.574839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.574839 (E_RNA)
where:
Base-Base interactions energy: -30.291
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.017
local terms energy: -39.267330
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -193.666325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.666325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.666325 (E_RNA)
where:
Base-Base interactions energy: -136.004
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.311
local terms energy: -57.351389
where:
bonds (distance) C4'-P energy: -11.302
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -11.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -193.111625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.111625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.111625 (E_RNA)
where:
Base-Base interactions energy: -135.141
where: short stacking energy: -53.578
Base-Backbone interact. energy: -0.480
local terms energy: -57.490498
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -192.409763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.409763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.409763 (E_RNA)
where:
Base-Base interactions energy: -132.398
where: short stacking energy: -60.261
Base-Backbone interact. energy: -0.001
local terms energy: -60.011440
where:
bonds (distance) C4'-P energy: -12.527
bonds (distance) P-C4' energy: -10.837
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -188.848505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.848505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.848505 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -49.868
Base-Backbone interact. energy: -0.062
local terms energy: -59.236392
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.569
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: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -176.470318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.470318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.470318 (E_RNA)
where:
Base-Base interactions energy: -120.029
where: short stacking energy: -53.425
Base-Backbone interact. energy: -0.000
local terms energy: -56.441481
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -7.684
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -171.435018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.435018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.435018 (E_RNA)
where:
Base-Base interactions energy: -120.756
where: short stacking energy: -54.866
Base-Backbone interact. energy: -0.022
local terms energy: -50.657303
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -8.348
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -11.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -169.233189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.233189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.233189 (E_RNA)
where:
Base-Base interactions energy: -119.973
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.079
local terms energy: -49.181129
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -5.179
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -12.486
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: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -171.037278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.037278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.037278 (E_RNA)
where:
Base-Base interactions energy: -120.568
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.326
local terms energy: -50.142965
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -10.106
flat angles C4'-P-C4' energy: -10.246
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -11.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -80.842203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.842203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.842203 (E_RNA)
where:
Base-Base interactions energy: -46.767
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.035
local terms energy: -34.040738
where:
bonds (distance) C4'-P energy: -5.344
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -8.318
flat angles P-C4'-P energy: -1.667
tors. eta vs tors. theta energy: -5.258
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: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -56.783983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.783983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.783983 (E_RNA)
where:
Base-Base interactions energy: -21.130
where: short stacking energy: -21.399
Base-Backbone interact. energy: -0.032
local terms energy: -35.622307
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -4.354
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -194.922720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.922720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.922720 (E_RNA)
where:
Base-Base interactions energy: -135.086
where: short stacking energy: -55.402
Base-Backbone interact. energy: -0.012
local terms energy: -59.824821
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -12.104
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: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -190.473280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.473280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.473280 (E_RNA)
where:
Base-Base interactions energy: -126.379
where: short stacking energy: -55.483
Base-Backbone interact. energy: -0.004
local terms energy: -64.089737
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -184.862623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.862623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.862623 (E_RNA)
where:
Base-Base interactions energy: -122.518
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.053
local terms energy: -62.291415
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -13.340
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: 411
Temperature: 1.050000
Total energy: -181.562145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.562145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.562145 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -49.397
Base-Backbone interact. energy: -0.317
local terms energy: -55.873533
where:
bonds (distance) C4'-P energy: -11.099
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -12.346
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: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -182.369721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369721 (E_RNA)
where:
Base-Base interactions energy: -123.037
where: short stacking energy: -57.343
Base-Backbone interact. energy: -0.028
local terms energy: -59.304745
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -184.886457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.886457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.886457 (E_RNA)
where:
Base-Base interactions energy: -125.754
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.002
local terms energy: -59.130746
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -8.341
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -18.284
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: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -170.726880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.726880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.726880 (E_RNA)
where:
Base-Base interactions energy: -114.602
where: short stacking energy: -47.517
Base-Backbone interact. energy: -0.015
local terms energy: -56.109400
where:
bonds (distance) C4'-P energy: -11.840
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -10.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -166.939954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.939954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.939954 (E_RNA)
where:
Base-Base interactions energy: -117.239
where: short stacking energy: -54.762
Base-Backbone interact. energy: -0.314
local terms energy: -49.387142
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -7.951
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -67.048190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.048190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.048190 (E_RNA)
where:
Base-Base interactions energy: -28.223
where: short stacking energy: -28.223
Base-Backbone interact. energy: -0.161
local terms energy: -38.663585
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -1.252
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -68.338810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.338810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.338810 (E_RNA)
where:
Base-Base interactions energy: -30.285
where: short stacking energy: -30.285
Base-Backbone interact. energy: 0.271
local terms energy: -38.324684
where:
bonds (distance) C4'-P energy: -6.391
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -6.298
flat angles P-C4'-P energy: -3.998
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -198.011861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.011861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.011861 (E_RNA)
where:
Base-Base interactions energy: -132.774
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.041
local terms energy: -65.196606
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -16.674
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: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -192.265198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.265198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.265198 (E_RNA)
where:
Base-Base interactions energy: -134.183
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.327
local terms energy: -57.755620
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -13.573
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: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -190.283251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.283251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.283251 (E_RNA)
where:
Base-Base interactions energy: -134.035
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.248
local terms energy: -56.000221
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.863
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -12.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -177.603481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.603481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.603481 (E_RNA)
where:
Base-Base interactions energy: -116.767
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.015
local terms energy: -60.822173
where:
bonds (distance) C4'-P energy: -11.646
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -14.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -182.124257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.124257 (E_RNA)
where:
Base-Base interactions energy: -122.747
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.007
local terms energy: -59.370260
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -16.249
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: 6, replica: 3
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -182.821707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821707 (E_RNA)
where:
Base-Base interactions energy: -126.356
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.020
local terms energy: -56.445847
where:
bonds (distance) C4'-P energy: -6.818
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -178.262600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.262600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.262600 (E_RNA)
where:
Base-Base interactions energy: -120.839
where: short stacking energy: -50.068
Base-Backbone interact. energy: -0.095
local terms energy: -57.329338
where:
bonds (distance) C4'-P energy: -8.470
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.139
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -14.165
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: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -165.640401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.640401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.640401 (E_RNA)
where:
Base-Base interactions energy: -116.766
where: short stacking energy: -48.416
Base-Backbone interact. energy: -0.039
local terms energy: -48.835828
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -11.107
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -4.703
tors. eta vs tors. theta energy: -8.175
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: 412
Temperature: 1.300000
Total energy: -102.603840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.603840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.603840 (E_RNA)
where:
Base-Base interactions energy: -61.617
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.014
local terms energy: -40.972314
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -7.268
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -4.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -72.212444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.212444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.212444 (E_RNA)
where:
Base-Base interactions energy: -36.878
where: short stacking energy: -22.275
Base-Backbone interact. energy: 0.351
local terms energy: -35.685807
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -8.558
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -3.741
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -197.185725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.185725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.185725 (E_RNA)
where:
Base-Base interactions energy: -134.894
where: short stacking energy: -63.165
Base-Backbone interact. energy: -0.096
local terms energy: -62.195891
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -15.469
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -194.021430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.021430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.021430 (E_RNA)
where:
Base-Base interactions energy: -132.923
where: short stacking energy: -56.260
Base-Backbone interact. energy: -0.068
local terms energy: -61.030191
where:
bonds (distance) C4'-P energy: -11.481
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -191.309623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309623 (E_RNA)
where:
Base-Base interactions energy: -137.900
where: short stacking energy: -56.064
Base-Backbone interact. energy: -0.180
local terms energy: -53.229398
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -176.360599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.360599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.360599 (E_RNA)
where:
Base-Base interactions energy: -120.854
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.004
local terms energy: -55.502577
where:
bonds (distance) C4'-P energy: -11.364
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -172.823698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.823698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.823698 (E_RNA)
where:
Base-Base interactions energy: -127.509
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.025
local terms energy: -45.289477
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -6.640
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -1.940
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -179.292971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.292971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.292971 (E_RNA)
where:
Base-Base interactions energy: -122.857
where: short stacking energy: -55.825
Base-Backbone interact. energy: -0.001
local terms energy: -56.434513
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -10.853
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -11.918
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: 413
Temperature: 1.200000
Total energy: -164.331950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.331950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.331950 (E_RNA)
where:
Base-Base interactions energy: -114.644
where: short stacking energy: -51.009
Base-Backbone interact. energy: -0.213
local terms energy: -49.475593
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -6.708
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -169.719117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.719117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.719117 (E_RNA)
where:
Base-Base interactions energy: -125.669
where: short stacking energy: -49.731
Base-Backbone interact. energy: -0.102
local terms energy: -43.947667
where:
bonds (distance) C4'-P energy: -0.761
bonds (distance) P-C4' energy: -10.599
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -9.775
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: 9, replica: 8
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -114.194616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.194616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.194616 (E_RNA)
where:
Base-Base interactions energy: -72.452
where: short stacking energy: -29.905
Base-Backbone interact. energy: -0.014
local terms energy: -41.728575
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -7.419
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -6.532
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: 6
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -64.253474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.253474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.253474 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -26.402
Base-Backbone interact. energy: -1.323
local terms energy: -30.586496
where:
bonds (distance) C4'-P energy: -5.013
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -191.064484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.064484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.064484 (E_RNA)
where:
Base-Base interactions energy: -128.594
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.051
local terms energy: -62.419166
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -195.879502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.879502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.879502 (E_RNA)
where:
Base-Base interactions energy: -133.103
where: short stacking energy: -61.181
Base-Backbone interact. energy: -0.517
local terms energy: -62.259746
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -15.662
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: 7
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -187.794900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.794900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.794900 (E_RNA)
where:
Base-Base interactions energy: -128.567
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.003
local terms energy: -59.225420
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -186.601407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.601407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.601407 (E_RNA)
where:
Base-Base interactions energy: -130.124
where: short stacking energy: -54.146
Base-Backbone interact. energy: -0.312
local terms energy: -56.165000
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -10.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -171.801796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.801796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.801796 (E_RNA)
where:
Base-Base interactions energy: -115.417
where: short stacking energy: -45.295
Base-Backbone interact. energy: -0.021
local terms energy: -56.363851
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -169.668136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.668136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.668136 (E_RNA)
where:
Base-Base interactions energy: -122.951
where: short stacking energy: -49.893
Base-Backbone interact. energy: 2.474
local terms energy: -49.190775
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -5.419
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -13.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -163.912938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.912938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.912938 (E_RNA)
where:
Base-Base interactions energy: -112.409
where: short stacking energy: -42.927
Base-Backbone interact. energy: -0.131
local terms energy: -51.373295
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -170.046349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.046349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.046349 (E_RNA)
where:
Base-Base interactions energy: -115.838
where: short stacking energy: -48.205
Base-Backbone interact. energy: -0.437
local terms energy: -53.771482
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -8.627
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -155.904485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.904485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.904485 (E_RNA)
where:
Base-Base interactions energy: -107.794
where: short stacking energy: -42.637
Base-Backbone interact. energy: -0.371
local terms energy: -47.739922
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -8.900
flat angles P-C4'-P energy: -4.983
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -64.389522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.389522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.389522 (E_RNA)
where:
Base-Base interactions energy: -32.235
where: short stacking energy: -32.235
Base-Backbone interact. energy: -0.008
local terms energy: -32.147203
where:
bonds (distance) C4'-P energy: -5.921
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -5.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -194.295331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.295331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.295331 (E_RNA)
where:
Base-Base interactions energy: -131.836
where: short stacking energy: -55.740
Base-Backbone interact. energy: -1.383
local terms energy: -61.076413
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -196.919289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.919289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.919289 (E_RNA)
where:
Base-Base interactions energy: -134.274
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.000
local terms energy: -62.645174
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -190.884696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.884696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.884696 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -61.045
Base-Backbone interact. energy: -0.000
local terms energy: -63.736056
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -12.942
flat angles C4'-P-C4' energy: -12.926
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -185.648873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.648873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.648873 (E_RNA)
where:
Base-Base interactions energy: -132.380
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.004
local terms energy: -53.265040
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -9.858
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -11.933
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: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -184.420359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.420359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.420359 (E_RNA)
where:
Base-Base interactions energy: -135.929
where: short stacking energy: -54.304
Base-Backbone interact. energy: -0.028
local terms energy: -48.463709
where:
bonds (distance) C4'-P energy: -5.767
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -11.536
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: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -182.662906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.662906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.662906 (E_RNA)
where:
Base-Base interactions energy: -126.190
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.000
local terms energy: -56.472169
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -11.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -175.733836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.733836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.733836 (E_RNA)
where:
Base-Base interactions energy: -123.439
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.425
local terms energy: -51.869651
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -6.449
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -12.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -171.247250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.247250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.247250 (E_RNA)
where:
Base-Base interactions energy: -116.522
where: short stacking energy: -49.756
Base-Backbone interact. energy: -0.034
local terms energy: -54.691012
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -11.283
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: 10
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -160.598259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.598259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.598259 (E_RNA)
where:
Base-Base interactions energy: -108.048
where: short stacking energy: -43.624
Base-Backbone interact. energy: -0.139
local terms energy: -52.410949
where:
bonds (distance) C4'-P energy: -8.638
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -11.672
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: 10, replica: 6
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -91.789536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.789536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.789536 (E_RNA)
where:
Base-Base interactions energy: -57.756
where: short stacking energy: -20.850
Base-Backbone interact. energy: -0.290
local terms energy: -33.743069
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -2.590
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -189.987796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.987796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.987796 (E_RNA)
where:
Base-Base interactions energy: -130.874
where: short stacking energy: -60.623
Base-Backbone interact. energy: -0.023
local terms energy: -59.090563
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -189.451049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.451049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.451049 (E_RNA)
where:
Base-Base interactions energy: -131.116
where: short stacking energy: -56.258
Base-Backbone interact. energy: 0.868
local terms energy: -59.202769
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -11.282
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -13.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -185.484036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.484036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.484036 (E_RNA)
where:
Base-Base interactions energy: -127.949
where: short stacking energy: -57.104
Base-Backbone interact. energy: -0.328
local terms energy: -57.206529
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -9.950
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -188.694134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.694134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.694134 (E_RNA)
where:
Base-Base interactions energy: -135.313
where: short stacking energy: -58.773
Base-Backbone interact. energy: -0.044
local terms energy: -53.337765
where:
bonds (distance) C4'-P energy: -7.196
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -7.788
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -178.897930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.897930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.897930 (E_RNA)
where:
Base-Base interactions energy: -129.524
where: short stacking energy: -50.223
Base-Backbone interact. energy: -0.122
local terms energy: -49.251816
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -4.010
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -179.617473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.617473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.617473 (E_RNA)
where:
Base-Base interactions energy: -125.137
where: short stacking energy: -59.631
Base-Backbone interact. energy: 0.928
local terms energy: -55.408543
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -11.577
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -14.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -178.218692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.218692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.218692 (E_RNA)
where:
Base-Base interactions energy: -126.639
where: short stacking energy: -55.548
Base-Backbone interact. energy: 0.230
local terms energy: -51.809457
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -8.306
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -157.503509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.503509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.503509 (E_RNA)
where:
Base-Base interactions energy: -108.523
where: short stacking energy: -43.998
Base-Backbone interact. energy: -0.012
local terms energy: -48.968397
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -7.608
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -10.247
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: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -178.909353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.909353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.909353 (E_RNA)
where:
Base-Base interactions energy: -119.201
where: short stacking energy: -55.750
Base-Backbone interact. energy: -0.000
local terms energy: -59.708473
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -10.702
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -10.134
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -128.348483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.348483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.348483 (E_RNA)
where:
Base-Base interactions energy: -79.934
where: short stacking energy: -31.183
Base-Backbone interact. energy: 0.146
local terms energy: -48.560807
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -7.904
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -194.190990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.190990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.190990 (E_RNA)
where:
Base-Base interactions energy: -129.268
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.048
local terms energy: -64.874941
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -188.120762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120762 (E_RNA)
where:
Base-Base interactions energy: -132.189
where: short stacking energy: -58.080
Base-Backbone interact. energy: -0.781
local terms energy: -55.151092
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -11.979
flat angles P-C4'-P energy: -6.121
tors. eta vs tors. theta energy: -11.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -187.441314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.441314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.441314 (E_RNA)
where:
Base-Base interactions energy: -131.857
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.008
local terms energy: -55.576300
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -13.332
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: 7
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -187.705401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.705401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.705401 (E_RNA)
where:
Base-Base interactions energy: -129.613
where: short stacking energy: -57.829
Base-Backbone interact. energy: -0.006
local terms energy: -58.087266
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -177.144032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.144032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.144032 (E_RNA)
where:
Base-Base interactions energy: -122.356
where: short stacking energy: -50.405
Base-Backbone interact. energy: -0.001
local terms energy: -54.787326
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -11.339
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: 8
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -171.208362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.208362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.208362 (E_RNA)
where:
Base-Base interactions energy: -112.602
where: short stacking energy: -44.358
Base-Backbone interact. energy: -0.047
local terms energy: -58.558951
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -12.112
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: 417
Temperature: 1.200000
Total energy: -179.202933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.202933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.202933 (E_RNA)
where:
Base-Base interactions energy: -121.346
where: short stacking energy: -53.724
Base-Backbone interact. energy: -0.055
local terms energy: -57.801865
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -8.889
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -167.980094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.980094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.980094 (E_RNA)
where:
Base-Base interactions energy: -112.319
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.003
local terms energy: -55.657806
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -10.113
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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -171.595868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.595868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.595868 (E_RNA)
where:
Base-Base interactions energy: -121.487
where: short stacking energy: -55.403
Base-Backbone interact. energy: -0.001
local terms energy: -50.108531
where:
bonds (distance) C4'-P energy: -6.799
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -130.206873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.206873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.206873 (E_RNA)
where:
Base-Base interactions energy: -78.066
where: short stacking energy: -43.047
Base-Backbone interact. energy: -0.021
local terms energy: -52.120523
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -5.617
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -9.247
tors. eta vs tors. theta energy: -10.534
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: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -191.606581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.606581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.606581 (E_RNA)
where:
Base-Base interactions energy: -132.564
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.487
local terms energy: -58.555239
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -13.692
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: 2, replica: 1
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -188.211710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.211710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.211710 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -58.818
Base-Backbone interact. energy: -0.002
local terms energy: -59.851699
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -186.509295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.509295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.509295 (E_RNA)
where:
Base-Base interactions energy: -125.345
where: short stacking energy: -60.324
Base-Backbone interact. energy: 0.166
local terms energy: -61.330338
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -15.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -183.257723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.257723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.257723 (E_RNA)
where:
Base-Base interactions energy: -125.217
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.003
local terms energy: -58.036922
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -180.001560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.001560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.001560 (E_RNA)
where:
Base-Base interactions energy: -121.596
where: short stacking energy: -53.787
Base-Backbone interact. energy: -0.001
local terms energy: -58.405156
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -10.125
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -17.023
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: 8
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -169.368598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.368598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.368598 (E_RNA)
where:
Base-Base interactions energy: -114.038
where: short stacking energy: -45.162
Base-Backbone interact. energy: -0.048
local terms energy: -55.282231
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -11.735
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -11.139
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: 2
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -181.835177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.835177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.835177 (E_RNA)
where:
Base-Base interactions energy: -127.160
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.013
local terms energy: -54.662356
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -11.152
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -12.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -181.817951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.817951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.817951 (E_RNA)
where:
Base-Base interactions energy: -124.871
where: short stacking energy: -54.873
Base-Backbone interact. energy: -0.027
local terms energy: -56.919742
where:
bonds (distance) C4'-P energy: -10.188
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -15.652
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: 10
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -160.706275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706275 (E_RNA)
where:
Base-Base interactions energy: -115.113
where: short stacking energy: -46.443
Base-Backbone interact. energy: -0.064
local terms energy: -45.530100
where:
bonds (distance) C4'-P energy: -6.057
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -10.144
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: 6
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -114.178853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.178853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.178853 (E_RNA)
where:
Base-Base interactions energy: -71.079
where: short stacking energy: -31.014
Base-Backbone interact. energy: -0.096
local terms energy: -43.004286
where:
bonds (distance) C4'-P energy: -12.473
bonds (distance) P-C4' energy: -8.744
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -3.297
tors. eta vs tors. theta energy: -5.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -192.371260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.371260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.371260 (E_RNA)
where:
Base-Base interactions energy: -132.486
where: short stacking energy: -61.430
Base-Backbone interact. energy: -0.000
local terms energy: -59.884520
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -10.373
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -8.421
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: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -188.413193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.413193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.413193 (E_RNA)
where:
Base-Base interactions energy: -129.098
where: short stacking energy: -62.436
Base-Backbone interact. energy: -0.002
local terms energy: -59.312742
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -10.373
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: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -192.555795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.555795 (E_RNA)
where:
Base-Base interactions energy: -131.925
where: short stacking energy: -61.117
Base-Backbone interact. energy: -0.000
local terms energy: -60.630389
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.662
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -13.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -189.113297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.113297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.113297 (E_RNA)
where:
Base-Base interactions energy: -124.240
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.135
local terms energy: -64.738877
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -16.142
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: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -181.223753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.223753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.223753 (E_RNA)
where:
Base-Base interactions energy: -129.085
where: short stacking energy: -59.630
Base-Backbone interact. energy: -0.014
local terms energy: -52.124765
where:
bonds (distance) C4'-P energy: -9.381
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -5.439
tors. eta vs tors. theta energy: -14.944
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: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -183.536800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.536800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.536800 (E_RNA)
where:
Base-Base interactions energy: -131.216
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.000
local terms energy: -52.320128
where:
bonds (distance) C4'-P energy: -6.835
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -12.673
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: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -169.422072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.422072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.422072 (E_RNA)
where:
Base-Base interactions energy: -120.483
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.011
local terms energy: -48.927966
where:
bonds (distance) C4'-P energy: -5.929
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -13.353
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -168.254318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.254318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.254318 (E_RNA)
where:
Base-Base interactions energy: -115.562
where: short stacking energy: -50.532
Base-Backbone interact. energy: -0.001
local terms energy: -52.690675
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -5.625
flat angles C4'-P-C4' energy: -11.184
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -15.110
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: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -166.120375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.120375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.120375 (E_RNA)
where:
Base-Base interactions energy: -108.433
where: short stacking energy: -46.984
Base-Backbone interact. energy: -0.714
local terms energy: -56.973195
where:
bonds (distance) C4'-P energy: -11.968
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -115.951589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.951589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.951589 (E_RNA)
where:
Base-Base interactions energy: -70.393
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.089
local terms energy: -45.469577
where:
bonds (distance) C4'-P energy: -9.571
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -9.289
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -200.004931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.004931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.004931 (E_RNA)
where:
Base-Base interactions energy: -138.888
where: short stacking energy: -64.531
Base-Backbone interact. energy: -0.047
local terms energy: -61.069585
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -18.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -189.934651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.934651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.934651 (E_RNA)
where:
Base-Base interactions energy: -131.549
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.021
local terms energy: -58.364065
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -186.947744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.947744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.947744 (E_RNA)
where:
Base-Base interactions energy: -123.324
where: short stacking energy: -58.887
Base-Backbone interact. energy: -0.011
local terms energy: -63.612952
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -187.599972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.599972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.599972 (E_RNA)
where:
Base-Base interactions energy: -123.892
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.020
local terms energy: -63.688401
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -184.770342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.770342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770342 (E_RNA)
where:
Base-Base interactions energy: -121.379
where: short stacking energy: -54.607
Base-Backbone interact. energy: -0.790
local terms energy: -62.600982
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -13.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -177.828566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.828566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.828566 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.001
local terms energy: -54.448638
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -11.280
flat angles C4'-P-C4' energy: -9.064
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -14.751
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: 420
Temperature: 1.200000
Total energy: -185.389790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389790 (E_RNA)
where:
Base-Base interactions energy: -126.555
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.004
local terms energy: -58.830215
where:
bonds (distance) C4'-P energy: -10.863
bonds (distance) P-C4' energy: -9.501
flat angles C4'-P-C4' energy: -11.315
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -17.417
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: 420
Temperature: 1.250000
Total energy: -174.795810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.795810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.795810 (E_RNA)
where:
Base-Base interactions energy: -118.081
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.013
local terms energy: -56.702034
where:
bonds (distance) C4'-P energy: -8.164
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -172.610953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.610953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.610953 (E_RNA)
where:
Base-Base interactions energy: -118.068
where: short stacking energy: -53.178
Base-Backbone interact. energy: -0.103
local terms energy: -54.439222
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -9.753
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: 6
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -112.325513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.325513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.325513 (E_RNA)
where:
Base-Base interactions energy: -81.471
where: short stacking energy: -38.100
Base-Backbone interact. energy: -0.946
local terms energy: -29.908823
where:
bonds (distance) C4'-P energy: -4.665
bonds (distance) P-C4' energy: -5.557
flat angles C4'-P-C4' energy: -8.669
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -189.094627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.094627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.094627 (E_RNA)
where:
Base-Base interactions energy: -127.634
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.023
local terms energy: -61.437864
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -195.291417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.291417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.291417 (E_RNA)
where:
Base-Base interactions energy: -130.422
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.003
local terms energy: -64.866013
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -189.165971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.165971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.165971 (E_RNA)
where:
Base-Base interactions energy: -132.857
where: short stacking energy: -58.904
Base-Backbone interact. energy: -0.541
local terms energy: -55.768347
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -9.904
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -186.328644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.328644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.328644 (E_RNA)
where:
Base-Base interactions energy: -131.590
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.075
local terms energy: -54.663694
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -9.823
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: 421
Temperature: 1.100000
Total energy: -182.038591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.038591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.038591 (E_RNA)
where:
Base-Base interactions energy: -125.320
where: short stacking energy: -53.553
Base-Backbone interact. energy: -0.002
local terms energy: -56.716374
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -9.142
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -180.474805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.474805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.474805 (E_RNA)
where:
Base-Base interactions energy: -123.773
where: short stacking energy: -56.382
Base-Backbone interact. energy: 1.234
local terms energy: -57.935082
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -15.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -176.026051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.026051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.026051 (E_RNA)
where:
Base-Base interactions energy: -120.934
where: short stacking energy: -52.505
Base-Backbone interact. energy: -0.080
local terms energy: -55.011635
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -7.734
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -13.805
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: 8
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -174.764770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.764770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.764770 (E_RNA)
where:
Base-Base interactions energy: -121.419
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.006
local terms energy: -53.339515
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -162.224661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.224661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.224661 (E_RNA)
where:
Base-Base interactions energy: -111.671
where: short stacking energy: -46.977
Base-Backbone interact. energy: -0.048
local terms energy: -50.505379
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -9.056
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: 6
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -102.130512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.130512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.130512 (E_RNA)
where:
Base-Base interactions energy: -58.138
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.293
local terms energy: -43.698949
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -8.374
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -7.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -192.458033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.458033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.458033 (E_RNA)
where:
Base-Base interactions energy: -130.220
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.000
local terms energy: -62.237804
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -190.875139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.875139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.875139 (E_RNA)
where:
Base-Base interactions energy: -130.468
where: short stacking energy: -59.222
Base-Backbone interact. energy: -0.126
local terms energy: -60.281313
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -15.952
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -188.868382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.868382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.868382 (E_RNA)
where:
Base-Base interactions energy: -131.047
where: short stacking energy: -61.041
Base-Backbone interact. energy: -0.001
local terms energy: -57.820456
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -191.534589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.534589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.534589 (E_RNA)
where:
Base-Base interactions energy: -129.938
where: short stacking energy: -58.907
Base-Backbone interact. energy: -0.004
local terms energy: -61.593348
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -180.970276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.970276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.970276 (E_RNA)
where:
Base-Base interactions energy: -127.143
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.121
local terms energy: -53.707092
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -11.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -175.783295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.783295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.783295 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -53.989
Base-Backbone interact. energy: -0.248
local terms energy: -54.364466
where:
bonds (distance) C4'-P energy: -8.829
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -11.732
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: 7, replica: 8
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -171.236656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.236656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.236656 (E_RNA)
where:
Base-Base interactions energy: -119.064
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.062
local terms energy: -52.111179
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -8.701
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -13.896
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: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -180.472884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.472884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.472884 (E_RNA)
where:
Base-Base interactions energy: -125.686
where: short stacking energy: -56.351
Base-Backbone interact. energy: -0.015
local terms energy: -54.772017
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -10.706
flat angles C4'-P-C4' energy: -12.421
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: -15.319
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: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -164.475343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.475343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.475343 (E_RNA)
where:
Base-Base interactions energy: -113.015
where: short stacking energy: -49.084
Base-Backbone interact. energy: -0.050
local terms energy: -51.410208
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -8.613
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: 6
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -78.889108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.889108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.889108 (E_RNA)
where:
Base-Base interactions energy: -39.084
where: short stacking energy: -34.386
Base-Backbone interact. energy: -0.092
local terms energy: -39.713433
where:
bonds (distance) C4'-P energy: -8.648
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: 1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -190.632519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.632519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.632519 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.126
local terms energy: -58.817282
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -186.588820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.588820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.588820 (E_RNA)
where:
Base-Base interactions energy: -127.003
where: short stacking energy: -60.453
Base-Backbone interact. energy: -0.001
local terms energy: -59.584493
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -184.583284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.583284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.583284 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -57.661
Base-Backbone interact. energy: -0.034
local terms energy: -60.507835
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -8.252
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: 4, replica: 5
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -182.992454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.992454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.992454 (E_RNA)
where:
Base-Base interactions energy: -130.958
where: short stacking energy: -47.510
Base-Backbone interact. energy: -0.241
local terms energy: -51.793538
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -186.711634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.711634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.711634 (E_RNA)
where:
Base-Base interactions energy: -125.710
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.005
local terms energy: -60.996703
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -11.442
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -180.474663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.474663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.474663 (E_RNA)
where:
Base-Base interactions energy: -123.466
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.366
local terms energy: -56.642935
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -170.028691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.028691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.028691 (E_RNA)
where:
Base-Base interactions energy: -116.143
where: short stacking energy: -47.824
Base-Backbone interact. energy: 0.122
local terms energy: -54.006910
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -11.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -171.238662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.238662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.238662 (E_RNA)
where:
Base-Base interactions energy: -118.219
where: short stacking energy: -50.847
Base-Backbone interact. energy: -0.001
local terms energy: -53.018538
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -8.886
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -11.796
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: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -173.021568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.021568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.021568 (E_RNA)
where:
Base-Base interactions energy: -119.943
where: short stacking energy: -56.018
Base-Backbone interact. energy: -0.012
local terms energy: -53.066101
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -10.889
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -14.586
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: 10, replica: 6
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -82.410249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.410249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.410249 (E_RNA)
where:
Base-Base interactions energy: -41.904
where: short stacking energy: -41.904
Base-Backbone interact. energy: -0.098
local terms energy: -40.408377
where:
bonds (distance) C4'-P energy: -7.908
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -10.659
flat angles P-C4'-P energy: -4.215
tors. eta vs tors. theta energy: -5.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -192.280683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.280683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.280683 (E_RNA)
where:
Base-Base interactions energy: -128.430
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.021
local terms energy: -63.829585
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -14.200
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: 1
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -188.128996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.128996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.128996 (E_RNA)
where:
Base-Base interactions energy: -131.898
where: short stacking energy: -59.549
Base-Backbone interact. energy: -0.001
local terms energy: -56.229406
where:
bonds (distance) C4'-P energy: -10.287
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -192.398959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.398959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.398959 (E_RNA)
where:
Base-Base interactions energy: -137.726
where: short stacking energy: -58.866
Base-Backbone interact. energy: -0.022
local terms energy: -54.651444
where:
bonds (distance) C4'-P energy: -7.046
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -13.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -181.306217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.306217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.306217 (E_RNA)
where:
Base-Base interactions energy: -127.071
where: short stacking energy: -57.215
Base-Backbone interact. energy: -0.005
local terms energy: -54.230617
where:
bonds (distance) C4'-P energy: -4.757
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -184.176664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.176664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.176664 (E_RNA)
where:
Base-Base interactions energy: -129.356
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.167
local terms energy: -54.654065
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -175.618519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.618519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.618519 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.788
local terms energy: -52.725511
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -10.785
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -178.933653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.933653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.933653 (E_RNA)
where:
Base-Base interactions energy: -123.764
where: short stacking energy: -53.801
Base-Backbone interact. energy: -0.136
local terms energy: -55.034330
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.623
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: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -170.259992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.259992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.259992 (E_RNA)
where:
Base-Base interactions energy: -119.364
where: short stacking energy: -52.086
Base-Backbone interact. energy: -0.001
local terms energy: -50.895658
where:
bonds (distance) C4'-P energy: -9.683
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -7.703
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -13.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -173.096471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.096471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.096471 (E_RNA)
where:
Base-Base interactions energy: -119.901
where: short stacking energy: -43.450
Base-Backbone interact. energy: -0.967
local terms energy: -52.228406
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -11.508
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -69.211165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.211165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.211165 (E_RNA)
where:
Base-Base interactions energy: -25.275
where: short stacking energy: -25.275
Base-Backbone interact. energy: -0.063
local terms energy: -43.873174
where:
bonds (distance) C4'-P energy: -7.680
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -4.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -189.508543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.508543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.508543 (E_RNA)
where:
Base-Base interactions energy: -129.718
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.000
local terms energy: -59.790368
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -7.437
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -195.464044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.464044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.464044 (E_RNA)
where:
Base-Base interactions energy: -133.303
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.910
local terms energy: -61.251207
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -15.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -185.311471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.311471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.311471 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -55.227
Base-Backbone interact. energy: -0.000
local terms energy: -60.286993
where:
bonds (distance) C4'-P energy: -10.263
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -17.061
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: 425
Temperature: 1.050000
Total energy: -177.165268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.165268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.165268 (E_RNA)
where:
Base-Base interactions energy: -117.451
where: short stacking energy: -50.210
Base-Backbone interact. energy: -0.098
local terms energy: -59.616494
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -12.173
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: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -181.552446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.552446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.552446 (E_RNA)
where:
Base-Base interactions energy: -122.124
where: short stacking energy: -53.590
Base-Backbone interact. energy: -0.006
local terms energy: -59.422935
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -182.131172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.131172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.131172 (E_RNA)
where:
Base-Base interactions energy: -125.823
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.002
local terms energy: -56.306125
where:
bonds (distance) C4'-P energy: -8.433
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -6.417
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: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -172.148007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.148007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.148007 (E_RNA)
where:
Base-Base interactions energy: -123.563
where: short stacking energy: -55.434
Base-Backbone interact. energy: -0.001
local terms energy: -48.584443
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -4.155
tors. eta vs tors. theta energy: -12.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -164.121083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.121083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.121083 (E_RNA)
where:
Base-Base interactions energy: -111.855
where: short stacking energy: -40.799
Base-Backbone interact. energy: -0.633
local terms energy: -51.633163
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -8.765
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -12.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -161.072253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.072253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.072253 (E_RNA)
where:
Base-Base interactions energy: -109.973
where: short stacking energy: -49.279
Base-Backbone interact. energy: 0.041
local terms energy: -51.139486
where:
bonds (distance) C4'-P energy: -7.170
bonds (distance) P-C4' energy: -9.360
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -11.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -68.868805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.868805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.868805 (E_RNA)
where:
Base-Base interactions energy: -35.215
where: short stacking energy: -35.215
Base-Backbone interact. energy: -0.013
local terms energy: -33.640262
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -8.939
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -4.431
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -190.687395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.687395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.687395 (E_RNA)
where:
Base-Base interactions energy: -138.136
where: short stacking energy: -58.026
Base-Backbone interact. energy: -0.744
local terms energy: -51.807694
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -7.436
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -11.131
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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -188.467675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.467675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.467675 (E_RNA)
where:
Base-Base interactions energy: -131.839
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.000
local terms energy: -56.627920
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -13.274
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: 426
Temperature: 1.000000
Total energy: -189.140358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.140358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.140358 (E_RNA)
where:
Base-Base interactions energy: -128.557
where: short stacking energy: -52.664
Base-Backbone interact. energy: -0.058
local terms energy: -60.525621
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -11.339
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: 426
Temperature: 1.050000
Total energy: -190.976836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.976836 (E_RNA)
where:
Base-Base interactions energy: -127.763
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.042
local terms energy: -63.171196
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -16.127
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: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -179.449875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.449875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.449875 (E_RNA)
where:
Base-Base interactions energy: -125.141
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.007
local terms energy: -54.302253
where:
bonds (distance) C4'-P energy: -10.305
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -13.960
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: 9
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -173.629359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.629359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.629359 (E_RNA)
where:
Base-Base interactions energy: -125.090
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.344
local terms energy: -48.194988
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -179.754219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.754219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.754219 (E_RNA)
where:
Base-Base interactions energy: -119.338
where: short stacking energy: -52.295
Base-Backbone interact. energy: -0.004
local terms energy: -60.412303
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -13.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -167.623545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.623545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.623545 (E_RNA)
where:
Base-Base interactions energy: -114.717
where: short stacking energy: -44.230
Base-Backbone interact. energy: -0.102
local terms energy: -52.804826
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -6.085
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: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -165.403564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.403564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.403564 (E_RNA)
where:
Base-Base interactions energy: -113.945
where: short stacking energy: -48.203
Base-Backbone interact. energy: -0.025
local terms energy: -51.433414
where:
bonds (distance) C4'-P energy: -9.311
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -8.435
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -61.856661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.856661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.856661 (E_RNA)
where:
Base-Base interactions energy: -24.724
where: short stacking energy: -24.094
Base-Backbone interact. energy: -0.008
local terms energy: -37.124604
where:
bonds (distance) C4'-P energy: -7.523
bonds (distance) P-C4' energy: -7.251
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -193.586215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.586215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.586215 (E_RNA)
where:
Base-Base interactions energy: -137.062
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.065
local terms energy: -56.459092
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -192.459345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.459345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.459345 (E_RNA)
where:
Base-Base interactions energy: -130.054
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.176
local terms energy: -62.229264
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -13.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -187.889648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.889648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.889648 (E_RNA)
where:
Base-Base interactions energy: -131.319
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.001
local terms energy: -56.569155
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -9.172
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -13.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -184.788978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.788978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.788978 (E_RNA)
where:
Base-Base interactions energy: -122.667
where: short stacking energy: -57.629
Base-Backbone interact. energy: -0.159
local terms energy: -61.962861
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -8.523
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -181.853395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.853395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.853395 (E_RNA)
where:
Base-Base interactions energy: -123.805
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.001
local terms energy: -58.047384
where:
bonds (distance) C4'-P energy: -10.591
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -15.684
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: 9
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -177.797858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.797858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.797858 (E_RNA)
where:
Base-Base interactions energy: -120.835
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.438
local terms energy: -56.525312
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -8.357
flat angles P-C4'-P energy: -7.436
tors. eta vs tors. theta energy: -16.161
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: 427
Temperature: 1.200000
Total energy: -175.577336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.577336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.577336 (E_RNA)
where:
Base-Base interactions energy: -121.388
where: short stacking energy: -53.174
Base-Backbone interact. energy: -0.016
local terms energy: -54.172682
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -10.849
flat angles C4'-P-C4' energy: -8.506
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -14.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -164.540586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.540586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.540586 (E_RNA)
where:
Base-Base interactions energy: -111.061
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.060
local terms energy: -53.419860
where:
bonds (distance) C4'-P energy: -8.239
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -161.562840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.562840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.562840 (E_RNA)
where:
Base-Base interactions energy: -114.637
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.294
local terms energy: -46.631295
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -10.652
flat angles C4'-P-C4' energy: -9.309
flat angles P-C4'-P energy: -3.649
tors. eta vs tors. theta energy: -13.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -63.558127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.558127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.558127 (E_RNA)
where:
Base-Base interactions energy: -26.921
where: short stacking energy: -25.946
Base-Backbone interact. energy: -0.236
local terms energy: -36.401024
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: 1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -193.552816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.552816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.552816 (E_RNA)
where:
Base-Base interactions energy: -133.172
where: short stacking energy: -54.022
Base-Backbone interact. energy: -1.048
local terms energy: -59.332022
where:
bonds (distance) C4'-P energy: -10.979
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -190.159940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.159940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.159940 (E_RNA)
where:
Base-Base interactions energy: -132.159
where: short stacking energy: -60.002
Base-Backbone interact. energy: -0.001
local terms energy: -58.000068
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -183.795679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.795679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.795679 (E_RNA)
where:
Base-Base interactions energy: -124.656
where: short stacking energy: -57.115
Base-Backbone interact. energy: -0.009
local terms energy: -59.130015
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -8.070
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: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -181.255145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.255145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.255145 (E_RNA)
where:
Base-Base interactions energy: -127.833
where: short stacking energy: -57.454
Base-Backbone interact. energy: -0.023
local terms energy: -53.399294
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -13.909
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: 9
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -189.400811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.400811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.400811 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -63.385
Base-Backbone interact. energy: -0.021
local terms energy: -62.172627
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -15.047
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: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -180.143419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.143419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.143419 (E_RNA)
where:
Base-Base interactions energy: -123.385
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.243
local terms energy: -56.515627
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -10.200
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -7.441
tors. eta vs tors. theta energy: -15.491
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: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -179.748972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.748972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.748972 (E_RNA)
where:
Base-Base interactions energy: -127.564
where: short stacking energy: -54.544
Base-Backbone interact. energy: -0.077
local terms energy: -52.107219
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -168.296873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.296873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.296873 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.000
local terms energy: -44.540318
where:
bonds (distance) C4'-P energy: -8.863
bonds (distance) P-C4' energy: -6.462
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: -10.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -173.242276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.242276 (E_RNA)
where:
Base-Base interactions energy: -120.815
where: short stacking energy: -46.410
Base-Backbone interact. energy: -0.930
local terms energy: -51.497398
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -10.755
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: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -67.949809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.949809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.949809 (E_RNA)
where:
Base-Base interactions energy: -29.783
where: short stacking energy: -29.053
Base-Backbone interact. energy: -0.190
local terms energy: -37.976670
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -10.602
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -195.063678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.063678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.063678 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.198
local terms energy: -61.488986
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -192.920837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.920837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.920837 (E_RNA)
where:
Base-Base interactions energy: -129.685
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.040
local terms energy: -63.195909
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -14.984
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: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -189.743193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.743193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.743193 (E_RNA)
where:
Base-Base interactions energy: -126.727
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.807
local terms energy: -62.209593
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -182.663986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.663986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.663986 (E_RNA)
where:
Base-Base interactions energy: -120.880
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.617
local terms energy: -61.167447
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -14.192
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: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -179.801929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.801929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.801929 (E_RNA)
where:
Base-Base interactions energy: -119.453
where: short stacking energy: -53.895
Base-Backbone interact. energy: -0.031
local terms energy: -60.318309
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -9.054
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -15.443
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: 3
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -189.674826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.674826 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -62.357
Base-Backbone interact. energy: -0.000
local terms energy: -57.966424
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -16.778
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -173.037829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.037829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.037829 (E_RNA)
where:
Base-Base interactions energy: -119.960
where: short stacking energy: -52.869
Base-Backbone interact. energy: -0.017
local terms energy: -53.059937
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -165.038055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.038055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.038055 (E_RNA)
where:
Base-Base interactions energy: -113.744
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.056
local terms energy: -51.237903
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -9.244
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -10.706
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: 10
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -169.060939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.060939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.060939 (E_RNA)
where:
Base-Base interactions energy: -123.824
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.001
local terms energy: -45.236285
where:
bonds (distance) C4'-P energy: -5.295
bonds (distance) P-C4' energy: -10.302
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -65.497419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.497419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.497419 (E_RNA)
where:
Base-Base interactions energy: -26.875
where: short stacking energy: -23.803
Base-Backbone interact. energy: -0.143
local terms energy: -38.478878
where:
bonds (distance) C4'-P energy: -6.508
bonds (distance) P-C4' energy: -9.826
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -3.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -187.588358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.588358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.588358 (E_RNA)
where:
Base-Base interactions energy: -133.553
where: short stacking energy: -54.517
Base-Backbone interact. energy: -0.000
local terms energy: -54.034720
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -8.068
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -8.101
tors. eta vs tors. theta energy: -12.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -190.314473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314473 (E_RNA)
where:
Base-Base interactions energy: -132.099
where: short stacking energy: -52.928
Base-Backbone interact. energy: -0.236
local terms energy: -57.980180
where:
bonds (distance) C4'-P energy: -11.443
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -189.175049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.175049 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.001
local terms energy: -62.431538
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -189.049126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.049126 (E_RNA)
where:
Base-Base interactions energy: -123.866
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.053
local terms energy: -65.130527
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -15.699
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: 3
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -180.409629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.409629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.409629 (E_RNA)
where:
Base-Base interactions energy: -127.568
where: short stacking energy: -55.288
Base-Backbone interact. energy: -0.238
local terms energy: -52.603193
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -10.515
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -13.668
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: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -174.058556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.058556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.058556 (E_RNA)
where:
Base-Base interactions energy: -126.105
where: short stacking energy: -54.960
Base-Backbone interact. energy: -0.000
local terms energy: -47.953266
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -7.781
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -10.805
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: 4
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -183.322000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.322000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.322000 (E_RNA)
where:
Base-Base interactions energy: -124.741
where: short stacking energy: -60.076
Base-Backbone interact. energy: 0.152
local terms energy: -58.733429
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -12.539
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -164.999353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.999353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.999353 (E_RNA)
where:
Base-Base interactions energy: -116.081
where: short stacking energy: -46.221
Base-Backbone interact. energy: -1.421
local terms energy: -47.496928
where:
bonds (distance) C4'-P energy: -7.779
bonds (distance) P-C4' energy: -7.129
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -167.343733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.343733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.343733 (E_RNA)
where:
Base-Base interactions energy: -114.983
where: short stacking energy: -49.209
Base-Backbone interact. energy: -0.076
local terms energy: -52.284396
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -9.132
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -62.449293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.449293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.449293 (E_RNA)
where:
Base-Base interactions energy: -36.692
where: short stacking energy: -18.330
Base-Backbone interact. energy: 0.633
local terms energy: -26.390476
where:
bonds (distance) C4'-P energy: -9.054
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -6.410
flat angles P-C4'-P energy: -1.394
tors. eta vs tors. theta energy: -0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -194.293117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.293117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.293117 (E_RNA)
where:
Base-Base interactions energy: -134.959
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.005
local terms energy: -59.329022
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -16.203
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: 9
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -192.949145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.949145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.949145 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -62.129
Base-Backbone interact. energy: 0.435
local terms energy: -64.241766
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -187.460058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.460058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.460058 (E_RNA)
where:
Base-Base interactions energy: -127.607
where: short stacking energy: -53.610
Base-Backbone interact. energy: -0.265
local terms energy: -59.587912
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -8.137
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -183.424466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.424466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.424466 (E_RNA)
where:
Base-Base interactions energy: -125.086
where: short stacking energy: -55.892
Base-Backbone interact. energy: -0.004
local terms energy: -58.334483
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -8.813
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -17.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -173.063456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.063456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.063456 (E_RNA)
where:
Base-Base interactions energy: -113.702
where: short stacking energy: -48.636
Base-Backbone interact. energy: -0.003
local terms energy: -59.358446
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -14.246
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: 4
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -176.812765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.812765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.812765 (E_RNA)
where:
Base-Base interactions energy: -121.021
where: short stacking energy: -49.527
Base-Backbone interact. energy: -0.308
local terms energy: -55.483928
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -9.189
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -12.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -176.176695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.176695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.176695 (E_RNA)
where:
Base-Base interactions energy: -127.152
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.006
local terms energy: -49.019247
where:
bonds (distance) C4'-P energy: -2.509
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -9.878
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: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -166.607286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.607286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.607286 (E_RNA)
where:
Base-Base interactions energy: -123.485
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.051
local terms energy: -43.071640
where:
bonds (distance) C4'-P energy: -6.189
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -2.373
tors. eta vs tors. theta energy: -13.104
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: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -167.191054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.191054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.191054 (E_RNA)
where:
Base-Base interactions energy: -117.443
where: short stacking energy: -45.180
Base-Backbone interact. energy: -0.668
local terms energy: -49.079928
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -8.649
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -11.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -63.185012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.185012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.185012 (E_RNA)
where:
Base-Base interactions energy: -20.030
where: short stacking energy: -16.984
Base-Backbone interact. energy: -0.085
local terms energy: -43.069631
where:
bonds (distance) C4'-P energy: -10.048
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -4.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -193.881787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.881787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.881787 (E_RNA)
where:
Base-Base interactions energy: -131.348
where: short stacking energy: -61.815
Base-Backbone interact. energy: -0.033
local terms energy: -62.500568
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -9.376
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -17.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -190.816826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.816826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.816826 (E_RNA)
where:
Base-Base interactions energy: -127.125
where: short stacking energy: -59.032
Base-Backbone interact. energy: -0.078
local terms energy: -63.613748
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -185.865967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.865967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.865967 (E_RNA)
where:
Base-Base interactions energy: -130.015
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.009
local terms energy: -55.842686
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -9.579
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -16.250
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: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -176.072583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072583 (E_RNA)
where:
Base-Base interactions energy: -122.901
where: short stacking energy: -54.065
Base-Backbone interact. energy: 1.936
local terms energy: -55.106913
where:
bonds (distance) C4'-P energy: -8.602
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -12.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -185.200672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.200672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.200672 (E_RNA)
where:
Base-Base interactions energy: -127.135
where: short stacking energy: -59.620
Base-Backbone interact. energy: -0.002
local terms energy: -58.063322
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -189.928052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.928052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928052 (E_RNA)
where:
Base-Base interactions energy: -128.265
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.001
local terms energy: -61.662168
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -177.863851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.863851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.863851 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.003
local terms energy: -54.705775
where:
bonds (distance) C4'-P energy: -9.443
bonds (distance) P-C4' energy: -9.958
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -14.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -178.041354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.041354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.041354 (E_RNA)
where:
Base-Base interactions energy: -128.300
where: short stacking energy: -57.045
Base-Backbone interact. energy: -0.005
local terms energy: -49.736395
where:
bonds (distance) C4'-P energy: -9.178
bonds (distance) P-C4' energy: -8.511
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -12.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -171.174617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.174617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.174617 (E_RNA)
where:
Base-Base interactions energy: -117.224
where: short stacking energy: -53.948
Base-Backbone interact. energy: -0.022
local terms energy: -53.929079
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -11.962
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -59.309615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.309615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.309615 (E_RNA)
where:
Base-Base interactions energy: -25.534
where: short stacking energy: -8.575
Base-Backbone interact. energy: -0.160
local terms energy: -33.615032
where:
bonds (distance) C4'-P energy: -9.337
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -5.435
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -197.376211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.376211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.376211 (E_RNA)
where:
Base-Base interactions energy: -136.436
where: short stacking energy: -63.322
Base-Backbone interact. energy: -0.009
local terms energy: -60.931284
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -16.301
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: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -195.052639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.052639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.052639 (E_RNA)
where:
Base-Base interactions energy: -133.934
where: short stacking energy: -62.959
Base-Backbone interact. energy: -0.587
local terms energy: -60.532403
where:
bonds (distance) C4'-P energy: -8.440
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -188.906020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.906020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.906020 (E_RNA)
where:
Base-Base interactions energy: -128.665
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.089
local terms energy: -60.152229
where:
bonds (distance) C4'-P energy: -13.310
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -178.717155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.717155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.717155 (E_RNA)
where:
Base-Base interactions energy: -126.375
where: short stacking energy: -55.726
Base-Backbone interact. energy: -0.072
local terms energy: -52.270231
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -10.199
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -176.737561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.737561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.737561 (E_RNA)
where:
Base-Base interactions energy: -122.479
where: short stacking energy: -51.823
Base-Backbone interact. energy: -0.092
local terms energy: -54.165758
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -9.202
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -12.277
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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -182.688526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.688526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.688526 (E_RNA)
where:
Base-Base interactions energy: -124.194
where: short stacking energy: -58.946
Base-Backbone interact. energy: -0.167
local terms energy: -58.327528
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -15.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -177.573392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.573392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.573392 (E_RNA)
where:
Base-Base interactions energy: -124.755
where: short stacking energy: -55.879
Base-Backbone interact. energy: 1.181
local terms energy: -53.999114
where:
bonds (distance) C4'-P energy: -9.977
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -14.121
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: 8, replica: 7
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -172.096119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.096119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.096119 (E_RNA)
where:
Base-Base interactions energy: -116.653
where: short stacking energy: -47.974
Base-Backbone interact. energy: -0.058
local terms energy: -55.384929
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -11.432
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -11.549
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: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -171.790176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790176 (E_RNA)
where:
Base-Base interactions energy: -124.733
where: short stacking energy: -49.215
Base-Backbone interact. energy: -0.169
local terms energy: -46.887825
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -67.551155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.551155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.551155 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -31.951
Base-Backbone interact. energy: -0.022
local terms energy: -33.744285
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -8.427
flat angles C4'-P-C4' energy: -9.818
flat angles P-C4'-P energy: -2.899
tors. eta vs tors. theta energy: -4.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -190.086869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.086869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.086869 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -58.729
Base-Backbone interact. energy: -0.001
local terms energy: -57.325532
where:
bonds (distance) C4'-P energy: -10.755
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -15.106
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: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -192.761559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.761559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.761559 (E_RNA)
where:
Base-Base interactions energy: -127.949
where: short stacking energy: -56.288
Base-Backbone interact. energy: -0.065
local terms energy: -64.747654
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -14.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -188.474035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.474035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.474035 (E_RNA)
where:
Base-Base interactions energy: -130.130
where: short stacking energy: -56.261
Base-Backbone interact. energy: -1.276
local terms energy: -57.067882
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -11.516
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: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -191.912155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.912155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.912155 (E_RNA)
where:
Base-Base interactions energy: -129.217
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.055
local terms energy: -62.639493
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.441777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.441777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.441777 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -49.204
Base-Backbone interact. energy: -0.002
local terms energy: -55.467555
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -9.549
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -8.971
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: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -183.236243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236243 (E_RNA)
where:
Base-Base interactions energy: -128.856
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.002
local terms energy: -54.378375
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -172.541901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.541901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.541901 (E_RNA)
where:
Base-Base interactions energy: -117.039
where: short stacking energy: -55.555
Base-Backbone interact. energy: -0.011
local terms energy: -55.491809
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -11.210
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: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -178.167882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.167882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167882 (E_RNA)
where:
Base-Base interactions energy: -123.092
where: short stacking energy: -55.499
Base-Backbone interact. energy: -0.002
local terms energy: -55.073746
where:
bonds (distance) C4'-P energy: -5.842
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -169.561835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.561835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.561835 (E_RNA)
where:
Base-Base interactions energy: -113.176
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.011
local terms energy: -56.374340
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -10.990
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -59.383207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -59.383207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -59.383207 (E_RNA)
where:
Base-Base interactions energy: -20.375
where: short stacking energy: -20.046
Base-Backbone interact. energy: -0.256
local terms energy: -38.751738
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: 0.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -185.740660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.740660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.740660 (E_RNA)
where:
Base-Base interactions energy: -129.064
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.002
local terms energy: -56.674251
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.857
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -190.824977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.824977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.824977 (E_RNA)
where:
Base-Base interactions energy: -135.125
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.056
local terms energy: -55.644214
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -188.446656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.446656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.446656 (E_RNA)
where:
Base-Base interactions energy: -128.433
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.008
local terms energy: -60.005872
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -18.388
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: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -187.154921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.154921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.154921 (E_RNA)
where:
Base-Base interactions energy: -124.450
where: short stacking energy: -56.669
Base-Backbone interact. energy: -0.019
local terms energy: -62.685985
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -17.290
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: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -181.689912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.689912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.689912 (E_RNA)
where:
Base-Base interactions energy: -123.650
where: short stacking energy: -61.879
Base-Backbone interact. energy: -0.306
local terms energy: -57.733623
where:
bonds (distance) C4'-P energy: -10.030
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -10.690
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -189.604352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.604352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.604352 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.050
local terms energy: -61.160663
where:
bonds (distance) C4'-P energy: -10.731
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -176.200206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.200206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.200206 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -50.235
Base-Backbone interact. energy: -0.003
local terms energy: -55.412276
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -14.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -172.821191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.821191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.821191 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -55.127
Base-Backbone interact. energy: -0.002
local terms energy: -50.051176
where:
bonds (distance) C4'-P energy: -10.862
bonds (distance) P-C4' energy: -8.530
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -171.484726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.484726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.484726 (E_RNA)
where:
Base-Base interactions energy: -114.316
where: short stacking energy: -51.399
Base-Backbone interact. energy: -0.017
local terms energy: -57.151468
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -11.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -60.143745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.143745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.143745 (E_RNA)
where:
Base-Base interactions energy: -22.495
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.296
local terms energy: -37.352579
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -198.583694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.583694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.583694 (E_RNA)
where:
Base-Base interactions energy: -132.324
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.027
local terms energy: -66.232217
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -13.879
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: 9
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -186.290214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.290214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.290214 (E_RNA)
where:
Base-Base interactions energy: -127.045
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.000
local terms energy: -59.244834
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -188.077405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.077405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.077405 (E_RNA)
where:
Base-Base interactions energy: -138.376
where: short stacking energy: -61.227
Base-Backbone interact. energy: -0.000
local terms energy: -49.701434
where:
bonds (distance) C4'-P energy: -10.234
bonds (distance) P-C4' energy: -8.287
flat angles C4'-P-C4' energy: -10.077
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -15.880
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: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -189.585668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.585668 (E_RNA)
where:
Base-Base interactions energy: -130.759
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.006
local terms energy: -58.820626
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -10.499
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -16.531
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: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -181.944169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.944169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.944169 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -59.483
Base-Backbone interact. energy: -0.013
local terms energy: -54.658496
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -11.633
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -175.630429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.630429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.630429 (E_RNA)
where:
Base-Base interactions energy: -122.450
where: short stacking energy: -50.362
Base-Backbone interact. energy: -0.087
local terms energy: -53.094150
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -7.541
flat angles C4'-P-C4' energy: -12.608
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -12.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -182.810793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.810793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.810793 (E_RNA)
where:
Base-Base interactions energy: -127.967
where: short stacking energy: -58.091
Base-Backbone interact. energy: -0.035
local terms energy: -54.808355
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -178.338041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.338041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.338041 (E_RNA)
where:
Base-Base interactions energy: -120.829
where: short stacking energy: -53.572
Base-Backbone interact. energy: -0.257
local terms energy: -57.251919
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -12.930
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: 9, replica: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -68.081069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.081069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.081069 (E_RNA)
where:
Base-Base interactions energy: -25.263
where: short stacking energy: -18.780
Base-Backbone interact. energy: -1.789
local terms energy: -41.029883
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -7.509
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -0.569
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: 436
Temperature: 1.350000
Total energy: -165.980722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.980722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.980722 (E_RNA)
where:
Base-Base interactions energy: -115.581
where: short stacking energy: -43.804
Base-Backbone interact. energy: -0.032
local terms energy: -50.366968
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -12.299
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: 437
Temperature: 0.900000
Total energy: -194.565565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.565565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565565 (E_RNA)
where:
Base-Base interactions energy: -131.199
where: short stacking energy: -53.015
Base-Backbone interact. energy: -0.107
local terms energy: -63.259805
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -193.608549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.608549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608549 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -59.269
Base-Backbone interact. energy: -0.000
local terms energy: -64.255681
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -14.344
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: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -194.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.234607 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.038
local terms energy: -58.385202
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -14.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -185.138392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.138392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.138392 (E_RNA)
where:
Base-Base interactions energy: -126.488
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.044
local terms energy: -58.606390
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -12.341
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: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -186.125800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.125800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.125800 (E_RNA)
where:
Base-Base interactions energy: -123.669
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.005
local terms energy: -62.452023
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -11.727
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: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -178.082689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.082689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.082689 (E_RNA)
where:
Base-Base interactions energy: -124.482
where: short stacking energy: -56.732
Base-Backbone interact. energy: -0.005
local terms energy: -53.595731
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -9.044
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -14.844
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: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -172.456897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.456897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.456897 (E_RNA)
where:
Base-Base interactions energy: -119.375
where: short stacking energy: -50.856
Base-Backbone interact. energy: -0.136
local terms energy: -52.945702
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -161.030725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.030725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.030725 (E_RNA)
where:
Base-Base interactions energy: -110.917
where: short stacking energy: -43.658
Base-Backbone interact. energy: -0.004
local terms energy: -50.110068
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -10.064
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: 6
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -67.446139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.446139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.446139 (E_RNA)
where:
Base-Base interactions energy: -26.680
where: short stacking energy: -25.449
Base-Backbone interact. energy: -0.049
local terms energy: -40.717706
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -10.566
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -2.940
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: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -133.119169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.119169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.119169 (E_RNA)
where:
Base-Base interactions energy: -88.895
where: short stacking energy: -36.582
Base-Backbone interact. energy: -0.106
local terms energy: -44.118534
where:
bonds (distance) C4'-P energy: -10.801
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -195.772504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.772504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.772504 (E_RNA)
where:
Base-Base interactions energy: -132.914
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.002
local terms energy: -62.856067
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -14.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -189.522799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522799 (E_RNA)
where:
Base-Base interactions energy: -128.590
where: short stacking energy: -54.237
Base-Backbone interact. energy: -0.376
local terms energy: -60.556036
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -187.914600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.914600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914600 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -63.847
Base-Backbone interact. energy: -0.041
local terms energy: -53.878210
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -8.760
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -15.294
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: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -185.051765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.051765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.051765 (E_RNA)
where:
Base-Base interactions energy: -128.443
where: short stacking energy: -60.636
Base-Backbone interact. energy: -0.003
local terms energy: -56.605770
where:
bonds (distance) C4'-P energy: -7.658
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -179.191297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.191297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.191297 (E_RNA)
where:
Base-Base interactions energy: -129.054
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.000
local terms energy: -50.137217
where:
bonds (distance) C4'-P energy: -11.335
bonds (distance) P-C4' energy: -7.407
flat angles C4'-P-C4' energy: -10.465
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -179.625192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.625192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.625192 (E_RNA)
where:
Base-Base interactions energy: -121.628
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.010
local terms energy: -57.986684
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -14.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -163.076747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.076747 (E_RNA)
where:
Base-Base interactions energy: -115.744
where: short stacking energy: -45.446
Base-Backbone interact. energy: -0.201
local terms energy: -47.131573
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -160.445395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.445395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.445395 (E_RNA)
where:
Base-Base interactions energy: -112.059
where: short stacking energy: -46.581
Base-Backbone interact. energy: -0.010
local terms energy: -48.376126
where:
bonds (distance) C4'-P energy: -6.040
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -172.522512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.522512 (E_RNA)
where:
Base-Base interactions energy: -122.169
where: short stacking energy: -48.381
Base-Backbone interact. energy: -0.419
local terms energy: -49.934721
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -9.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -66.150720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.150720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.150720 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -28.904
Base-Backbone interact. energy: 0.956
local terms energy: -38.202501
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -6.301
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -3.997
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: 439
Temperature: 0.900000
Total energy: -194.142383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.142383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.142383 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -60.393
Base-Backbone interact. energy: 0.063
local terms energy: -64.257708
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -16.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -191.348418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.348418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.348418 (E_RNA)
where:
Base-Base interactions energy: -129.902
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.031
local terms energy: -61.415860
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -189.742820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.742820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.742820 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.306
local terms energy: -57.065823
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -184.258167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.258167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.258167 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -57.029
Base-Backbone interact. energy: -0.000
local terms energy: -54.894422
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -7.296
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.158
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: 439
Temperature: 1.100000
Total energy: -183.380237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.380237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.380237 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -55.996
Base-Backbone interact. energy: -0.009
local terms energy: -54.033969
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -9.225
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -14.895
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: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -183.485795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.485795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.485795 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.287
local terms energy: -58.147168
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -166.896485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.896485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.896485 (E_RNA)
where:
Base-Base interactions energy: -116.199
where: short stacking energy: -51.856
Base-Backbone interact. energy: -0.005
local terms energy: -50.692091
where:
bonds (distance) C4'-P energy: -8.946
bonds (distance) P-C4' energy: -9.231
flat angles C4'-P-C4' energy: -9.153
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -13.129
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: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -173.027622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.027622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.027622 (E_RNA)
where:
Base-Base interactions energy: -115.193
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.211
local terms energy: -57.623788
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -14.697
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: 439
Temperature: 1.300000
Total energy: -174.008041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.008041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.008041 (E_RNA)
where:
Base-Base interactions energy: -120.187
where: short stacking energy: -45.605
Base-Backbone interact. energy: -0.630
local terms energy: -53.191794
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -10.685
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -9.270
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: 6
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -62.103787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.103787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.103787 (E_RNA)
where:
Base-Base interactions energy: -29.742
where: short stacking energy: -29.742
Base-Backbone interact. energy: -0.076
local terms energy: -32.285847
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -1.438
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -193.274670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.274670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.274670 (E_RNA)
where:
Base-Base interactions energy: -131.973
where: short stacking energy: -60.961
Base-Backbone interact. energy: 0.749
local terms energy: -62.050726
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -198.114173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.114173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.114173 (E_RNA)
where:
Base-Base interactions energy: -136.879
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.074
local terms energy: -61.160445
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -192.521214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.521214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.521214 (E_RNA)
where:
Base-Base interactions energy: -126.677
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.004
local terms energy: -65.840395
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -17.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -189.669200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.669200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.669200 (E_RNA)
where:
Base-Base interactions energy: -130.599
where: short stacking energy: -59.403
Base-Backbone interact. energy: -0.002
local terms energy: -59.067958
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -9.626
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -16.966
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: 5, replica: 9
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -188.210373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.210373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.210373 (E_RNA)
where:
Base-Base interactions energy: -130.127
where: short stacking energy: -60.913
Base-Backbone interact. energy: -0.009
local terms energy: -58.074310
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -12.349
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.498
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: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -182.708480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.708480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.708480 (E_RNA)
where:
Base-Base interactions energy: -125.141
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.652
local terms energy: -56.915588
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -175.332589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.332589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.332589 (E_RNA)
where:
Base-Base interactions energy: -120.921
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.000
local terms energy: -54.411435
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -10.774
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -13.512
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: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -166.873058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.873058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.873058 (E_RNA)
where:
Base-Base interactions energy: -113.033
where: short stacking energy: -45.741
Base-Backbone interact. energy: -0.022
local terms energy: -53.817744
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -10.415
flat angles P-C4'-P energy: -7.798
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: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -160.717650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.717650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.717650 (E_RNA)
where:
Base-Base interactions energy: -118.996
where: short stacking energy: -46.636
Base-Backbone interact. energy: -0.676
local terms energy: -41.045800
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -6.330
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -10.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -67.367046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.367046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.367046 (E_RNA)
where:
Base-Base interactions energy: -32.974
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.178
local terms energy: -34.214354
where:
bonds (distance) C4'-P energy: -8.702
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -6.455
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -2.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -196.406297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.406297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.406297 (E_RNA)
where:
Base-Base interactions energy: -138.414
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.000
local terms energy: -57.992013
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -12.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -189.063690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.063690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.063690 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.002
local terms energy: -60.810841
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -15.065
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: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -186.658720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.658720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.658720 (E_RNA)
where:
Base-Base interactions energy: -126.993
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.000
local terms energy: -59.665312
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -8.236
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: 4, replica: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -179.667734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.667734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.667734 (E_RNA)
where:
Base-Base interactions energy: -123.255
where: short stacking energy: -49.735
Base-Backbone interact. energy: 0.045
local terms energy: -56.457399
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -176.827615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.827615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.827615 (E_RNA)
where:
Base-Base interactions energy: -120.106
where: short stacking energy: -49.453
Base-Backbone interact. energy: -0.068
local terms energy: -56.653704
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -11.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -184.280271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.280271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.280271 (E_RNA)
where:
Base-Base interactions energy: -127.300
where: short stacking energy: -59.344
Base-Backbone interact. energy: -0.001
local terms energy: -56.979499
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: -13.999
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: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -174.825483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.825483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.825483 (E_RNA)
where:
Base-Base interactions energy: -125.484
where: short stacking energy: -56.786
Base-Backbone interact. energy: -0.005
local terms energy: -49.336599
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -8.846
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -11.775
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: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -173.537724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.537724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.537724 (E_RNA)
where:
Base-Base interactions energy: -120.174
where: short stacking energy: -51.685
Base-Backbone interact. energy: -0.069
local terms energy: -53.294615
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -12.647
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: 441
Temperature: 1.300000
Total energy: -170.260710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.260710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.260710 (E_RNA)
where:
Base-Base interactions energy: -114.580
where: short stacking energy: -54.962
Base-Backbone interact. energy: 0.513
local terms energy: -56.193940
where:
bonds (distance) C4'-P energy: -10.209
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -11.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -62.410449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.410449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.410449 (E_RNA)
where:
Base-Base interactions energy: -27.384
where: short stacking energy: -22.489
Base-Backbone interact. energy: -1.027
local terms energy: -33.999053
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -1.600
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -189.697674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.697674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.697674 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -57.800
Base-Backbone interact. energy: -0.342
local terms energy: -56.560376
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -13.072
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: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -190.828619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.828619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.828619 (E_RNA)
where:
Base-Base interactions energy: -129.738
where: short stacking energy: -60.604
Base-Backbone interact. energy: -0.011
local terms energy: -61.080187
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -188.627508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.627508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.627508 (E_RNA)
where:
Base-Base interactions energy: -129.546
where: short stacking energy: -60.263
Base-Backbone interact. energy: -0.069
local terms energy: -59.012196
where:
bonds (distance) C4'-P energy: -9.302
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -187.088807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.088807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.088807 (E_RNA)
where:
Base-Base interactions energy: -127.195
where: short stacking energy: -58.149
Base-Backbone interact. energy: -0.033
local terms energy: -59.861793
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -10.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -180.798836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.798836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.798836 (E_RNA)
where:
Base-Base interactions energy: -124.637
where: short stacking energy: -55.166
Base-Backbone interact. energy: -0.522
local terms energy: -55.639915
where:
bonds (distance) C4'-P energy: -10.047
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -14.595
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: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -176.498642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.498642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.498642 (E_RNA)
where:
Base-Base interactions energy: -119.242
where: short stacking energy: -54.016
Base-Backbone interact. energy: -0.005
local terms energy: -57.251579
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -13.594
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: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -174.229261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.229261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.229261 (E_RNA)
where:
Base-Base interactions energy: -119.152
where: short stacking energy: -55.593
Base-Backbone interact. energy: -0.060
local terms energy: -55.016701
where:
bonds (distance) C4'-P energy: -5.370
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -16.474
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: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -171.944543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.944543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.944543 (E_RNA)
where:
Base-Base interactions energy: -117.564
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.417
local terms energy: -53.963751
where:
bonds (distance) C4'-P energy: -8.629
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -11.575
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: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -132.795768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.795768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.795768 (E_RNA)
where:
Base-Base interactions energy: -92.385
where: short stacking energy: -43.598
Base-Backbone interact. energy: -0.027
local terms energy: -40.383754
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -5.361
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -9.697
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: 6
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -74.382016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.382016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.382016 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.073
local terms energy: -38.183639
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -5.590
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -6.221
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: 8
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -195.854234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.854234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.854234 (E_RNA)
where:
Base-Base interactions energy: -130.315
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.535
local terms energy: -65.004289
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -15.457
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: 2, replica: 3
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -188.113975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.113975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.113975 (E_RNA)
where:
Base-Base interactions energy: -127.919
where: short stacking energy: -58.253
Base-Backbone interact. energy: -0.010
local terms energy: -60.184789
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -15.374
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: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -185.031347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.031347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.031347 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.040
local terms energy: -58.124703
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -181.489728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.489728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.489728 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -59.151
Base-Backbone interact. energy: -0.269
local terms energy: -53.351911
where:
bonds (distance) C4'-P energy: -7.169
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -181.331211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.331211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.331211 (E_RNA)
where:
Base-Base interactions energy: -126.839
where: short stacking energy: -55.450
Base-Backbone interact. energy: -0.000
local terms energy: -54.492194
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -176.867449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.867449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.867449 (E_RNA)
where:
Base-Base interactions energy: -124.361
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.008
local terms energy: -52.499125
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -8.645
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -13.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -168.953602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953602 (E_RNA)
where:
Base-Base interactions energy: -115.445
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.002
local terms energy: -53.506379
where:
bonds (distance) C4'-P energy: -7.224
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -6.525
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -174.318733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.318733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.318733 (E_RNA)
where:
Base-Base interactions energy: -117.032
where: short stacking energy: -51.215
Base-Backbone interact. energy: -0.290
local terms energy: -56.996610
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -166.717832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.717832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.717832 (E_RNA)
where:
Base-Base interactions energy: -114.894
where: short stacking energy: -53.518
Base-Backbone interact. energy: -0.018
local terms energy: -51.806091
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -7.936
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -12.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -65.200897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.200897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.200897 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -21.704
Base-Backbone interact. energy: -0.171
local terms energy: -35.995841
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -7.740
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -192.903257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.903257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.903257 (E_RNA)
where:
Base-Base interactions energy: -131.538
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.075
local terms energy: -61.290802
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -193.266670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.266670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.266670 (E_RNA)
where:
Base-Base interactions energy: -138.356
where: short stacking energy: -56.105
Base-Backbone interact. energy: -0.131
local terms energy: -54.779684
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -3.736
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -187.804556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.804556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.804556 (E_RNA)
where:
Base-Base interactions energy: -125.966
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.011
local terms energy: -61.827986
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -17.129
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: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -187.315507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.315507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.315507 (E_RNA)
where:
Base-Base interactions energy: -127.553
where: short stacking energy: -58.047
Base-Backbone interact. energy: -0.011
local terms energy: -59.752254
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -181.100968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.100968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.100968 (E_RNA)
where:
Base-Base interactions energy: -121.920
where: short stacking energy: -54.326
Base-Backbone interact. energy: 0.128
local terms energy: -59.308997
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -175.128167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.128167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.128167 (E_RNA)
where:
Base-Base interactions energy: -120.113
where: short stacking energy: -56.493
Base-Backbone interact. energy: -0.001
local terms energy: -55.014517
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -11.344
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: -14.722
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: 444
Temperature: 1.200000
Total energy: -183.382752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.382752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.382752 (E_RNA)
where:
Base-Base interactions energy: -125.626
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.000
local terms energy: -57.756775
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -168.739249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.739249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.739249 (E_RNA)
where:
Base-Base interactions energy: -122.358
where: short stacking energy: -53.191
Base-Backbone interact. energy: -0.007
local terms energy: -46.374173
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -7.073
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -165.454065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.454065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.454065 (E_RNA)
where:
Base-Base interactions energy: -115.978
where: short stacking energy: -49.916
Base-Backbone interact. energy: -0.006
local terms energy: -49.470180
where:
bonds (distance) C4'-P energy: -10.507
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -8.118
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -73.309659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.309659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.309659 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -34.340
Base-Backbone interact. energy: -0.205
local terms energy: -38.764028
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -5.686
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -197.609972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.609972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.609972 (E_RNA)
where:
Base-Base interactions energy: -134.340
where: short stacking energy: -61.729
Base-Backbone interact. energy: -0.006
local terms energy: -63.263607
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -189.376992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.376992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.376992 (E_RNA)
where:
Base-Base interactions energy: -130.212
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.000
local terms energy: -59.164869
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -189.756588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.756588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.756588 (E_RNA)
where:
Base-Base interactions energy: -132.506
where: short stacking energy: -51.806
Base-Backbone interact. energy: -0.213
local terms energy: -57.037568
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -11.835
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -189.934846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.934846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.934846 (E_RNA)
where:
Base-Base interactions energy: -128.876
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.002
local terms energy: -61.056777
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -9.416
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -184.704374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.704374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704374 (E_RNA)
where:
Base-Base interactions energy: -126.788
where: short stacking energy: -57.586
Base-Backbone interact. energy: -0.001
local terms energy: -57.915650
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -10.052
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -16.821
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: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -183.535169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.535169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.535169 (E_RNA)
where:
Base-Base interactions energy: -127.087
where: short stacking energy: -60.373
Base-Backbone interact. energy: -0.000
local terms energy: -56.448136
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -173.240622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.240622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.240622 (E_RNA)
where:
Base-Base interactions energy: -116.552
where: short stacking energy: -54.362
Base-Backbone interact. energy: -0.000
local terms energy: -56.688682
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -10.452
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -11.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -167.515442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.515442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.515442 (E_RNA)
where:
Base-Base interactions energy: -120.225
where: short stacking energy: -53.115
Base-Backbone interact. energy: -0.329
local terms energy: -46.960758
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -12.934
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: 445
Temperature: 1.300000
Total energy: -169.557339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.557339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.557339 (E_RNA)
where:
Base-Base interactions energy: -118.093
where: short stacking energy: -49.157
Base-Backbone interact. energy: 0.585
local terms energy: -52.048885
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.097
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -65.260947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.260947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.260947 (E_RNA)
where:
Base-Base interactions energy: -18.945
where: short stacking energy: -18.945
Base-Backbone interact. energy: -0.024
local terms energy: -46.291745
where:
bonds (distance) C4'-P energy: -7.257
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -7.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -187.496910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.496910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.496910 (E_RNA)
where:
Base-Base interactions energy: -127.731
where: short stacking energy: -56.820
Base-Backbone interact. energy: -0.000
local terms energy: -59.765268
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -13.347
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: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -191.796735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.796735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.796735 (E_RNA)
where:
Base-Base interactions energy: -127.441
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.007
local terms energy: -64.349184
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -15.066
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: 446
Temperature: 1.000000
Total energy: -185.026793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.026793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.026793 (E_RNA)
where:
Base-Base interactions energy: -131.322
where: short stacking energy: -55.999
Base-Backbone interact. energy: 1.593
local terms energy: -55.297446
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -12.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -185.833898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.833898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.833898 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -54.089
Base-Backbone interact. energy: -0.221
local terms energy: -55.369581
where:
bonds (distance) C4'-P energy: -8.110
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -13.333
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: 9
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -181.568548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.568548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.568548 (E_RNA)
where:
Base-Base interactions energy: -124.566
where: short stacking energy: -51.602
Base-Backbone interact. energy: -0.506
local terms energy: -56.496442
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -8.826
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -177.571901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.571901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.571901 (E_RNA)
where:
Base-Base interactions energy: -125.994
where: short stacking energy: -57.581
Base-Backbone interact. energy: -0.277
local terms energy: -51.300917
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.672
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -5.034
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -168.706131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706131 (E_RNA)
where:
Base-Base interactions energy: -118.372
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.004
local terms energy: -50.330182
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -11.716
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -7.987
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: 7
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -174.109888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.109888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.109888 (E_RNA)
where:
Base-Base interactions energy: -117.860
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.004
local terms energy: -56.245556
where:
bonds (distance) C4'-P energy: -9.956
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -176.136637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.136637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.136637 (E_RNA)
where:
Base-Base interactions energy: -123.412
where: short stacking energy: -54.667
Base-Backbone interact. energy: -0.003
local terms energy: -52.721586
where:
bonds (distance) C4'-P energy: -8.010
bonds (distance) P-C4' energy: -8.117
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -12.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -66.751587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.751587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.751587 (E_RNA)
where:
Base-Base interactions energy: -24.839
where: short stacking energy: -24.839
Base-Backbone interact. energy: -0.006
local terms energy: -41.906251
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -4.665
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -5.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -194.330158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.330158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.330158 (E_RNA)
where:
Base-Base interactions energy: -132.546
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.001
local terms energy: -61.783656
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -6.831
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: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -188.773312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.773312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.773312 (E_RNA)
where:
Base-Base interactions energy: -133.027
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.012
local terms energy: -55.734326
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -9.488
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -186.425440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.425440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.425440 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.055
local terms energy: -62.588315
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -186.574240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574240 (E_RNA)
where:
Base-Base interactions energy: -129.458
where: short stacking energy: -53.286
Base-Backbone interact. energy: -0.097
local terms energy: -57.020024
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -13.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -185.749444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.749444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749444 (E_RNA)
where:
Base-Base interactions energy: -129.051
where: short stacking energy: -60.515
Base-Backbone interact. energy: -0.017
local terms energy: -56.681905
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -13.289
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: 447
Temperature: 1.150000
Total energy: -170.847212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.847212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.847212 (E_RNA)
where:
Base-Base interactions energy: -121.429
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.042
local terms energy: -49.376370
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -4.526
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -175.383422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.383422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.383422 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -57.634
Base-Backbone interact. energy: -0.016
local terms energy: -53.054611
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -181.069728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.069728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.069728 (E_RNA)
where:
Base-Base interactions energy: -125.465
where: short stacking energy: -54.712
Base-Backbone interact. energy: -0.001
local terms energy: -55.603389
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -14.833
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: 447
Temperature: 1.300000
Total energy: -156.254089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.254089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.254089 (E_RNA)
where:
Base-Base interactions energy: -104.193
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.112
local terms energy: -51.948514
where:
bonds (distance) C4'-P energy: -9.374
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -10.293
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: 6
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -62.950031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.950031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.950031 (E_RNA)
where:
Base-Base interactions energy: -24.770
where: short stacking energy: -24.770
Base-Backbone interact. energy: -0.005
local terms energy: -38.175743
where:
bonds (distance) C4'-P energy: -11.869
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -4.697
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -2.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -190.792618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.792618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.792618 (E_RNA)
where:
Base-Base interactions energy: -129.993
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.003
local terms energy: -60.796482
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -191.450820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.450820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.450820 (E_RNA)
where:
Base-Base interactions energy: -127.423
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.002
local terms energy: -64.025744
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -186.705549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.705549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.705549 (E_RNA)
where:
Base-Base interactions energy: -128.384
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.008
local terms energy: -58.313012
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -14.769
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: 3
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -184.390222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.390222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.390222 (E_RNA)
where:
Base-Base interactions energy: -129.040
where: short stacking energy: -57.186
Base-Backbone interact. energy: -0.001
local terms energy: -55.348890
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -6.686
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: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -183.541076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.541076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.541076 (E_RNA)
where:
Base-Base interactions energy: -125.387
where: short stacking energy: -60.318
Base-Backbone interact. energy: -0.007
local terms energy: -58.146788
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -181.111138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.111138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.111138 (E_RNA)
where:
Base-Base interactions energy: -124.974
where: short stacking energy: -53.051
Base-Backbone interact. energy: -0.001
local terms energy: -56.135412
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -170.682340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.682340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.682340 (E_RNA)
where:
Base-Base interactions energy: -117.535
where: short stacking energy: -46.256
Base-Backbone interact. energy: -0.018
local terms energy: -53.129425
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -9.887
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: 8, replica: 2
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -170.608175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.608175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.608175 (E_RNA)
where:
Base-Base interactions energy: -124.652
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.000
local terms energy: -45.955684
where:
bonds (distance) C4'-P energy: -6.027
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -9.430
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -13.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -169.103932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.103932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.103932 (E_RNA)
where:
Base-Base interactions energy: -116.226
where: short stacking energy: -47.759
Base-Backbone interact. energy: -0.240
local terms energy: -52.638864
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -7.760
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -63.946004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.946004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.946004 (E_RNA)
where:
Base-Base interactions energy: -22.538
where: short stacking energy: -22.538
Base-Backbone interact. energy: -0.102
local terms energy: -41.306261
where:
bonds (distance) C4'-P energy: -8.310
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -9.902
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -192.851934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.851934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.851934 (E_RNA)
where:
Base-Base interactions energy: -127.883
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.004
local terms energy: -64.965020
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -191.287793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.287793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.287793 (E_RNA)
where:
Base-Base interactions energy: -127.327
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.023
local terms energy: -63.937970
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -188.057334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.057334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.057334 (E_RNA)
where:
Base-Base interactions energy: -127.778
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.024
local terms energy: -60.254815
where:
bonds (distance) C4'-P energy: -8.111
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -9.505
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: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -188.927807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.927807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.927807 (E_RNA)
where:
Base-Base interactions energy: -131.878
where: short stacking energy: -59.854
Base-Backbone interact. energy: -0.027
local terms energy: -57.023124
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -10.541
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -15.695
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -177.852156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.852156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.852156 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.122
local terms energy: -54.226512
where:
bonds (distance) C4'-P energy: -10.830
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -179.385527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385527 (E_RNA)
where:
Base-Base interactions energy: -130.175
where: short stacking energy: -48.377
Base-Backbone interact. energy: -0.097
local terms energy: -49.113478
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -12.562
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: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -167.005265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.005265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.005265 (E_RNA)
where:
Base-Base interactions energy: -111.146
where: short stacking energy: -48.879
Base-Backbone interact. energy: -0.255
local terms energy: -55.604680
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -5.776
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -174.350191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.350191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.350191 (E_RNA)
where:
Base-Base interactions energy: -120.098
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.020
local terms energy: -54.233036
where:
bonds (distance) C4'-P energy: -9.096
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -164.789890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.789890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.789890 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -52.851
Base-Backbone interact. energy: -0.000
local terms energy: -48.435452
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -4.392
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -57.095459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -57.095459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -57.095459 (E_RNA)
where:
Base-Base interactions energy: -27.672
where: short stacking energy: -14.910
Base-Backbone interact. energy: 0.625
local terms energy: -30.048935
where:
bonds (distance) C4'-P energy: -9.213
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -6.976
flat angles P-C4'-P energy: -3.519
tors. eta vs tors. theta energy: 2.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -192.751506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.751506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.751506 (E_RNA)
where:
Base-Base interactions energy: -128.726
where: short stacking energy: -60.128
Base-Backbone interact. energy: -0.157
local terms energy: -63.868721
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -15.506
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: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -179.137404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.137404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.137404 (E_RNA)
where:
Base-Base interactions energy: -122.281
where: short stacking energy: -48.025
Base-Backbone interact. energy: -0.770
local terms energy: -56.086451
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -7.988
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -193.786400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.786400 (E_RNA)
where:
Base-Base interactions energy: -131.556
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.010
local terms energy: -62.219940
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -16.785
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: 450
Temperature: 1.050000
Total energy: -189.618297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.618297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.618297 (E_RNA)
where:
Base-Base interactions energy: -133.816
where: short stacking energy: -57.342
Base-Backbone interact. energy: 0.043
local terms energy: -55.845197
where:
bonds (distance) C4'-P energy: -9.713
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -12.161
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: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -185.301295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.301295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.301295 (E_RNA)
where:
Base-Base interactions energy: -134.702
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.264
local terms energy: -50.334510
where:
bonds (distance) C4'-P energy: -9.220
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -177.248668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.248668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.248668 (E_RNA)
where:
Base-Base interactions energy: -120.136
where: short stacking energy: -50.974
Base-Backbone interact. energy: -0.001
local terms energy: -57.111475
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -164.384456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.384456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.384456 (E_RNA)
where:
Base-Base interactions energy: -111.626
where: short stacking energy: -46.208
Base-Backbone interact. energy: -0.002
local terms energy: -52.756544
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -5.335
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: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -168.270291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270291 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.002
local terms energy: -51.914252
where:
bonds (distance) C4'-P energy: -8.131
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -4.458
tors. eta vs tors. theta energy: -13.468
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: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -164.681772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.681772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.681772 (E_RNA)
where:
Base-Base interactions energy: -116.880
where: short stacking energy: -48.234
Base-Backbone interact. energy: 0.705
local terms energy: -48.507030
where:
bonds (distance) C4'-P energy: -7.436
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -11.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -71.619637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.619637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.619637 (E_RNA)
where:
Base-Base interactions energy: -46.312
where: short stacking energy: -18.215
Base-Backbone interact. energy: -0.141
local terms energy: -25.166964
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: 0.857
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -194.648370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.648370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.648370 (E_RNA)
where:
Base-Base interactions energy: -132.500
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.387
local terms energy: -61.761145
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -17.179
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: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -186.228607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.228607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.228607 (E_RNA)
where:
Base-Base interactions energy: -132.357
where: short stacking energy: -59.103
Base-Backbone interact. energy: -0.000
local terms energy: -53.870897
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -13.657
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: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -187.449092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.449092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.449092 (E_RNA)
where:
Base-Base interactions energy: -129.039
where: short stacking energy: -56.577
Base-Backbone interact. energy: -0.142
local terms energy: -58.267484
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -2.931
tors. eta vs tors. theta energy: -17.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -184.547893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547893 (E_RNA)
where:
Base-Base interactions energy: -129.679
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.006
local terms energy: -54.862941
where:
bonds (distance) C4'-P energy: -11.918
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -13.213
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: 451
Temperature: 1.100000
Total energy: -189.190962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.190962 (E_RNA)
where:
Base-Base interactions energy: -125.004
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.005
local terms energy: -64.181870
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -183.222185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.222185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.222185 (E_RNA)
where:
Base-Base interactions energy: -125.979
where: short stacking energy: -57.316
Base-Backbone interact. energy: -0.011
local terms energy: -57.231839
where:
bonds (distance) C4'-P energy: -11.239
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -174.307450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.307450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307450 (E_RNA)
where:
Base-Base interactions energy: -120.447
where: short stacking energy: -56.399
Base-Backbone interact. energy: -0.009
local terms energy: -53.852351
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -8.291
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -166.633014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.633014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.633014 (E_RNA)
where:
Base-Base interactions energy: -122.759
where: short stacking energy: -47.818
Base-Backbone interact. energy: -0.709
local terms energy: -43.165094
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -4.708
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -13.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -166.821909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.821909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.821909 (E_RNA)
where:
Base-Base interactions energy: -116.314
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.057
local terms energy: -50.451306
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -11.271
flat angles C4'-P-C4' energy: -7.875
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -70.418421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.418421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.418421 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -23.820
Base-Backbone interact. energy: -0.635
local terms energy: -40.277997
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -11.349
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -4.187
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -192.457910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.457910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.457910 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.139
local terms energy: -62.224925
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -188.167197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.167197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.167197 (E_RNA)
where:
Base-Base interactions energy: -128.251
where: short stacking energy: -62.158
Base-Backbone interact. energy: 1.062
local terms energy: -60.978122
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -13.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -193.586387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.586387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.586387 (E_RNA)
where:
Base-Base interactions energy: -129.903
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.092
local terms energy: -63.591275
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -17.779
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: 452
Temperature: 1.050000
Total energy: -187.628349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.628349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.628349 (E_RNA)
where:
Base-Base interactions energy: -125.815
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.008
local terms energy: -61.804484
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -16.767
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: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -179.919895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.919895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.919895 (E_RNA)
where:
Base-Base interactions energy: -121.138
where: short stacking energy: -54.716
Base-Backbone interact. energy: -0.000
local terms energy: -58.782253
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -12.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -181.763395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.763395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.763395 (E_RNA)
where:
Base-Base interactions energy: -125.756
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.001
local terms energy: -56.006255
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -7.777
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -177.055298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.055298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.055298 (E_RNA)
where:
Base-Base interactions energy: -121.578
where: short stacking energy: -52.064
Base-Backbone interact. energy: 0.036
local terms energy: -55.513635
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -182.067760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.067760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.067760 (E_RNA)
where:
Base-Base interactions energy: -125.764
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.010
local terms energy: -56.293597
where:
bonds (distance) C4'-P energy: -7.720
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -12.916
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -15.359
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: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -166.166083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.166083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.166083 (E_RNA)
where:
Base-Base interactions energy: -117.253
where: short stacking energy: -48.060
Base-Backbone interact. energy: -0.005
local terms energy: -48.908923
where:
bonds (distance) C4'-P energy: -5.796
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -10.362
flat angles P-C4'-P energy: -8.000
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -64.549398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.549398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.549398 (E_RNA)
where:
Base-Base interactions energy: -27.055
where: short stacking energy: -26.168
Base-Backbone interact. energy: -0.250
local terms energy: -37.244810
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -5.311
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -5.384
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -189.537735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.537735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.537735 (E_RNA)
where:
Base-Base interactions energy: -129.684
where: short stacking energy: -56.638
Base-Backbone interact. energy: -0.000
local terms energy: -59.853608
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -187.564925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.564925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.564925 (E_RNA)
where:
Base-Base interactions energy: -132.328
where: short stacking energy: -57.744
Base-Backbone interact. energy: -0.074
local terms energy: -55.163162
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -189.527531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.527531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.527531 (E_RNA)
where:
Base-Base interactions energy: -128.247
where: short stacking energy: -59.935
Base-Backbone interact. energy: -0.000
local terms energy: -61.280343
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -185.619277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.619277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.619277 (E_RNA)
where:
Base-Base interactions energy: -126.799
where: short stacking energy: -55.526
Base-Backbone interact. energy: -0.001
local terms energy: -58.819825
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -13.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -185.990469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.990469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.990469 (E_RNA)
where:
Base-Base interactions energy: -124.146
where: short stacking energy: -57.837
Base-Backbone interact. energy: -0.001
local terms energy: -61.843483
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -14.924
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: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -181.819442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.819442 (E_RNA)
where:
Base-Base interactions energy: -122.687
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.002
local terms energy: -59.130246
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -10.834
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -15.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -173.609870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.609870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.609870 (E_RNA)
where:
Base-Base interactions energy: -118.433
where: short stacking energy: -48.402
Base-Backbone interact. energy: -0.399
local terms energy: -54.778016
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -9.663
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -166.312556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.312556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.312556 (E_RNA)
where:
Base-Base interactions energy: -121.650
where: short stacking energy: -44.220
Base-Backbone interact. energy: -0.570
local terms energy: -44.093505
where:
bonds (distance) C4'-P energy: -9.261
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -8.004
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: 9, replica: 3
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -174.074794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.074794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.074794 (E_RNA)
where:
Base-Base interactions energy: -122.288
where: short stacking energy: -56.479
Base-Backbone interact. energy: -0.409
local terms energy: -51.377904
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -5.984
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -14.243
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: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -69.093564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.093564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.093564 (E_RNA)
where:
Base-Base interactions energy: -30.064
where: short stacking energy: -26.946
Base-Backbone interact. energy: -0.002
local terms energy: -39.027556
where:
bonds (distance) C4'-P energy: -8.008
bonds (distance) P-C4' energy: -10.975
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -193.346156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.346156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.346156 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -61.998
Base-Backbone interact. energy: -0.018
local terms energy: -64.614664
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -14.292
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: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -184.939045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.939045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.939045 (E_RNA)
where:
Base-Base interactions energy: -133.007
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.179
local terms energy: -51.752949
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -183.605038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.605038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.605038 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -57.988
Base-Backbone interact. energy: -0.065
local terms energy: -57.433174
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -9.587
flat angles C4'-P-C4' energy: -10.666
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -14.992
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: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -189.246842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.246842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.246842 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.122
local terms energy: -59.112316
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -8.919
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -17.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -180.273387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.273387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.273387 (E_RNA)
where:
Base-Base interactions energy: -122.162
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.004
local terms energy: -58.107164
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -173.760652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.760652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.760652 (E_RNA)
where:
Base-Base interactions energy: -118.627
where: short stacking energy: -53.666
Base-Backbone interact. energy: -0.040
local terms energy: -55.092865
where:
bonds (distance) C4'-P energy: -8.305
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -178.386589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.386589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.386589 (E_RNA)
where:
Base-Base interactions energy: -125.408
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.037
local terms energy: -52.942111
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -10.209
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -180.331846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.331846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.331846 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -48.219
Base-Backbone interact. energy: -1.075
local terms energy: -53.382355
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -8.569
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -174.012577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.012577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.012577 (E_RNA)
where:
Base-Base interactions energy: -119.309
where: short stacking energy: -50.377
Base-Backbone interact. energy: 1.438
local terms energy: -56.141388
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -8.356
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: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -63.302608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.302608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.302608 (E_RNA)
where:
Base-Base interactions energy: -25.454
where: short stacking energy: -17.956
Base-Backbone interact. energy: 0.431
local terms energy: -38.279248
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -10.191
flat angles P-C4'-P energy: 0.789
tors. eta vs tors. theta energy: -4.342
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: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -196.976041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.976041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.976041 (E_RNA)
where:
Base-Base interactions energy: -135.053
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.001
local terms energy: -61.922231
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -12.100
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -191.224606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.224606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.224606 (E_RNA)
where:
Base-Base interactions energy: -136.874
where: short stacking energy: -61.956
Base-Backbone interact. energy: -0.000
local terms energy: -54.350584
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -15.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -187.914951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.914951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.914951 (E_RNA)
where:
Base-Base interactions energy: -133.676
where: short stacking energy: -56.009
Base-Backbone interact. energy: 1.066
local terms energy: -55.305623
where:
bonds (distance) C4'-P energy: -8.520
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -12.644
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: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -187.014468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.014468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.014468 (E_RNA)
where:
Base-Base interactions energy: -131.295
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.004
local terms energy: -55.715748
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -181.540805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.540805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.540805 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -53.792
Base-Backbone interact. energy: -0.012
local terms energy: -63.602374
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -17.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -180.125170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.125170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.125170 (E_RNA)
where:
Base-Base interactions energy: -124.908
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.008
local terms energy: -55.208544
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -15.192
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: 1
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -170.292179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.292179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.292179 (E_RNA)
where:
Base-Base interactions energy: -118.785
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.000
local terms energy: -51.506779
where:
bonds (distance) C4'-P energy: -8.619
bonds (distance) P-C4' energy: -9.474
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -170.457909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.457909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.457909 (E_RNA)
where:
Base-Base interactions energy: -115.370
where: short stacking energy: -55.693
Base-Backbone interact. energy: -0.000
local terms energy: -55.087575
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.446
tors. eta vs tors. theta energy: -14.292
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -172.289399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.289399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.289399 (E_RNA)
where:
Base-Base interactions energy: -116.964
where: short stacking energy: -50.437
Base-Backbone interact. energy: -0.000
local terms energy: -55.324992
where:
bonds (distance) C4'-P energy: -9.697
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -8.737
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -15.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -68.159183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.159183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.159183 (E_RNA)
where:
Base-Base interactions energy: -26.776
where: short stacking energy: -26.776
Base-Backbone interact. energy: -0.050
local terms energy: -41.332833
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -186.627496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.627496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.627496 (E_RNA)
where:
Base-Base interactions energy: -127.112
where: short stacking energy: -54.855
Base-Backbone interact. energy: -0.238
local terms energy: -59.277553
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -10.241
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -13.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -191.278065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.278065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.278065 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -61.531
Base-Backbone interact. energy: -0.289
local terms energy: -62.996805
where:
bonds (distance) C4'-P energy: -10.147
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -15.136
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -188.302407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.302407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.302407 (E_RNA)
where:
Base-Base interactions energy: -124.235
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.098
local terms energy: -63.969811
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -16.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -183.766624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.766624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.766624 (E_RNA)
where:
Base-Base interactions energy: -126.171
where: short stacking energy: -56.647
Base-Backbone interact. energy: -0.014
local terms energy: -57.582069
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -10.350
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -14.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -174.906607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.906607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.906607 (E_RNA)
where:
Base-Base interactions energy: -121.125
where: short stacking energy: -52.865
Base-Backbone interact. energy: -0.189
local terms energy: -53.593054
where:
bonds (distance) C4'-P energy: -9.169
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -14.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -179.114166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.114166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.114166 (E_RNA)
where:
Base-Base interactions energy: -125.441
where: short stacking energy: -55.393
Base-Backbone interact. energy: -0.000
local terms energy: -53.672375
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -10.275
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -180.887844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.887844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.887844 (E_RNA)
where:
Base-Base interactions energy: -126.691
where: short stacking energy: -50.581
Base-Backbone interact. energy: -0.307
local terms energy: -53.889173
where:
bonds (distance) C4'-P energy: -9.840
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -13.308
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: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -167.484632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.484632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.484632 (E_RNA)
where:
Base-Base interactions energy: -112.809
where: short stacking energy: -47.782
Base-Backbone interact. energy: -0.096
local terms energy: -54.580143
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -9.985
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -12.614
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: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -162.041292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.041292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.041292 (E_RNA)
where:
Base-Base interactions energy: -121.028
where: short stacking energy: -52.572
Base-Backbone interact. energy: -0.021
local terms energy: -40.992647
where:
bonds (distance) C4'-P energy: -5.639
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -12.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -67.469655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.469655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.469655 (E_RNA)
where:
Base-Base interactions energy: -26.378
where: short stacking energy: -23.541
Base-Backbone interact. energy: -0.018
local terms energy: -41.074021
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -183.927364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.927364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.927364 (E_RNA)
where:
Base-Base interactions energy: -127.819
where: short stacking energy: -52.531
Base-Backbone interact. energy: -0.752
local terms energy: -55.356292
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -187.735232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.735232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.735232 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.001
local terms energy: -56.475868
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.703
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -189.284799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.284799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.284799 (E_RNA)
where:
Base-Base interactions energy: -127.723
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.027
local terms energy: -61.534577
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -9.927
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -178.601260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.601260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.601260 (E_RNA)
where:
Base-Base interactions energy: -120.731
where: short stacking energy: -49.812
Base-Backbone interact. energy: -0.031
local terms energy: -57.839801
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -188.129209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.129209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.129209 (E_RNA)
where:
Base-Base interactions energy: -127.456
where: short stacking energy: -57.285
Base-Backbone interact. energy: -0.412
local terms energy: -60.261520
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -15.878
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: 3
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -182.643093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.643093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.643093 (E_RNA)
where:
Base-Base interactions energy: -127.038
where: short stacking energy: -59.325
Base-Backbone interact. energy: -0.003
local terms energy: -55.601375
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -14.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -178.661693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.661693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.661693 (E_RNA)
where:
Base-Base interactions energy: -121.110
where: short stacking energy: -55.451
Base-Backbone interact. energy: -0.000
local terms energy: -57.550817
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -176.885797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.885797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.885797 (E_RNA)
where:
Base-Base interactions energy: -125.875
where: short stacking energy: -53.876
Base-Backbone interact. energy: -0.860
local terms energy: -50.150529
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -9.015
flat angles P-C4'-P energy: -7.650
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -165.869311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.869311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.869311 (E_RNA)
where:
Base-Base interactions energy: -120.936
where: short stacking energy: -52.923
Base-Backbone interact. energy: -0.031
local terms energy: -44.902970
where:
bonds (distance) C4'-P energy: -4.711
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -4.942
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -71.862797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.862797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.862797 (E_RNA)
where:
Base-Base interactions energy: -34.257
where: short stacking energy: -32.113
Base-Backbone interact. energy: -0.011
local terms energy: -37.594774
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -5.593
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -193.927199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.927199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.927199 (E_RNA)
where:
Base-Base interactions energy: -127.846
where: short stacking energy: -57.568
Base-Backbone interact. energy: -0.021
local terms energy: -66.060646
where:
bonds (distance) C4'-P energy: -9.944
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -17.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -187.353600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.353600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.353600 (E_RNA)
where:
Base-Base interactions energy: -132.317
where: short stacking energy: -60.349
Base-Backbone interact. energy: -0.006
local terms energy: -55.030608
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -11.683
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -12.857
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -181.301664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.301664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.301664 (E_RNA)
where:
Base-Base interactions energy: -131.081
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.063
local terms energy: -50.157526
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -9.669
flat angles C4'-P-C4' energy: -10.918
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -188.359176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.359176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.359176 (E_RNA)
where:
Base-Base interactions energy: -124.595
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.157
local terms energy: -63.607258
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -174.081387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.081387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.081387 (E_RNA)
where:
Base-Base interactions energy: -123.124
where: short stacking energy: -58.914
Base-Backbone interact. energy: -0.026
local terms energy: -50.931509
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -186.981768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.981768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.981768 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.166
local terms energy: -59.961467
where:
bonds (distance) C4'-P energy: -9.452
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.036
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -178.069583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.069583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.069583 (E_RNA)
where:
Base-Base interactions energy: -123.114
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.006
local terms energy: -54.949131
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -11.432
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -12.582
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: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -183.806304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.806304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.806304 (E_RNA)
where:
Base-Base interactions energy: -129.202
where: short stacking energy: -58.763
Base-Backbone interact. energy: -0.008
local terms energy: -54.595755
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -9.358
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -8.421
tors. eta vs tors. theta energy: -11.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -172.077377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.077377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.077377 (E_RNA)
where:
Base-Base interactions energy: -118.731
where: short stacking energy: -50.087
Base-Backbone interact. energy: 0.080
local terms energy: -53.425587
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -62.337928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.337928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.337928 (E_RNA)
where:
Base-Base interactions energy: -20.502
where: short stacking energy: -20.502
Base-Backbone interact. energy: -0.001
local terms energy: -41.835130
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -3.621
tors. eta vs tors. theta energy: -5.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -197.195986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.195986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.195986 (E_RNA)
where:
Base-Base interactions energy: -135.230
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.053
local terms energy: -61.912964
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -191.820888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.820888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.820888 (E_RNA)
where:
Base-Base interactions energy: -127.737
where: short stacking energy: -59.614
Base-Backbone interact. energy: -0.000
local terms energy: -64.083564
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -15.676
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: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -188.764465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.764465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.764465 (E_RNA)
where:
Base-Base interactions energy: -129.495
where: short stacking energy: -59.543
Base-Backbone interact. energy: 0.285
local terms energy: -59.554480
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -14.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -181.532982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.532982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.532982 (E_RNA)
where:
Base-Base interactions energy: -124.240
where: short stacking energy: -55.175
Base-Backbone interact. energy: -0.001
local terms energy: -57.292535
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -170.988859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.988859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.988859 (E_RNA)
where:
Base-Base interactions energy: -117.693
where: short stacking energy: -45.000
Base-Backbone interact. energy: -0.239
local terms energy: -53.057123
where:
bonds (distance) C4'-P energy: -9.253
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -9.880
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: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -181.820981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.820981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.820981 (E_RNA)
where:
Base-Base interactions energy: -121.071
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.001
local terms energy: -60.749284
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -15.154
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: 7, replica: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -182.787676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.787676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.787676 (E_RNA)
where:
Base-Base interactions energy: -126.225
where: short stacking energy: -56.362
Base-Backbone interact. energy: -0.004
local terms energy: -56.558865
where:
bonds (distance) C4'-P energy: -10.118
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -15.421
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: 8, replica: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -165.716298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.716298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.716298 (E_RNA)
where:
Base-Base interactions energy: -113.600
where: short stacking energy: -48.464
Base-Backbone interact. energy: -0.406
local terms energy: -51.709736
where:
bonds (distance) C4'-P energy: -10.482
bonds (distance) P-C4' energy: -7.034
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -157.103436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.103436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.103436 (E_RNA)
where:
Base-Base interactions energy: -111.713
where: short stacking energy: -46.775
Base-Backbone interact. energy: -0.076
local terms energy: -45.315301
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -10.896
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -4.672
tors. eta vs tors. theta energy: -8.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -67.687909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.687909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.687909 (E_RNA)
where:
Base-Base interactions energy: -39.000
where: short stacking energy: -25.621
Base-Backbone interact. energy: 2.197
local terms energy: -30.884798
where:
bonds (distance) C4'-P energy: -3.724
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -11.375
flat angles P-C4'-P energy: -6.367
tors. eta vs tors. theta energy: 0.273
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: 460
Temperature: 0.900000
Total energy: -195.184834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.184834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.184834 (E_RNA)
where:
Base-Base interactions energy: -136.072
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.003
local terms energy: -59.109728
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -189.993725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.993725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.993725 (E_RNA)
where:
Base-Base interactions energy: -129.438
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.003
local terms energy: -60.553133
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -13.889
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: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -192.446235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.446235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.446235 (E_RNA)
where:
Base-Base interactions energy: -130.728
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.000
local terms energy: -61.718484
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -18.129
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: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -182.662255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.662255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.662255 (E_RNA)
where:
Base-Base interactions energy: -125.558
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.055
local terms energy: -57.048959
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -181.204613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.204613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.204613 (E_RNA)
where:
Base-Base interactions energy: -127.498
where: short stacking energy: -55.516
Base-Backbone interact. energy: -0.000
local terms energy: -53.706663
where:
bonds (distance) C4'-P energy: -8.247
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -174.453204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.453204 (E_RNA)
where:
Base-Base interactions energy: -121.148
where: short stacking energy: -50.037
Base-Backbone interact. energy: -0.226
local terms energy: -53.079753
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -11.786
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -11.107
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: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -174.932007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.932007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.932007 (E_RNA)
where:
Base-Base interactions energy: -117.154
where: short stacking energy: -53.165
Base-Backbone interact. energy: -0.006
local terms energy: -57.772461
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -167.519803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.519803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.519803 (E_RNA)
where:
Base-Base interactions energy: -117.452
where: short stacking energy: -51.867
Base-Backbone interact. energy: -0.051
local terms energy: -50.017419
where:
bonds (distance) C4'-P energy: -5.254
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -159.966864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.966864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.966864 (E_RNA)
where:
Base-Base interactions energy: -116.769
where: short stacking energy: -48.287
Base-Backbone interact. energy: -0.100
local terms energy: -43.097965
where:
bonds (distance) C4'-P energy: -6.943
bonds (distance) P-C4' energy: -7.841
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -66.076208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.076208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.076208 (E_RNA)
where:
Base-Base interactions energy: -29.348
where: short stacking energy: -16.224
Base-Backbone interact. energy: -0.540
local terms energy: -36.188438
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -4.108
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -196.885019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.885019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.885019 (E_RNA)
where:
Base-Base interactions energy: -132.588
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.002
local terms energy: -64.294442
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -17.462
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: 461
Temperature: 0.950000
Total energy: -186.701752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.701752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.701752 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.178
local terms energy: -59.376143
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -15.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -185.204754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.204754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.204754 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.011
local terms energy: -55.683512
where:
bonds (distance) C4'-P energy: -9.402
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -12.426
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -178.929611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.929611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.929611 (E_RNA)
where:
Base-Base interactions energy: -121.454
where: short stacking energy: -55.179
Base-Backbone interact. energy: -0.097
local terms energy: -57.378796
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -14.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -181.232106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.232106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.232106 (E_RNA)
where:
Base-Base interactions energy: -126.583
where: short stacking energy: -58.832
Base-Backbone interact. energy: -0.000
local terms energy: -54.649255
where:
bonds (distance) C4'-P energy: -8.429
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -179.461040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.461040 (E_RNA)
where:
Base-Base interactions energy: -124.759
where: short stacking energy: -55.542
Base-Backbone interact. energy: 0.352
local terms energy: -55.054446
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -8.700
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -171.679971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.679971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.679971 (E_RNA)
where:
Base-Base interactions energy: -117.809
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.001
local terms energy: -53.870533
where:
bonds (distance) C4'-P energy: -7.772
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -174.480322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.480322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.480322 (E_RNA)
where:
Base-Base interactions energy: -115.476
where: short stacking energy: -52.197
Base-Backbone interact. energy: -0.062
local terms energy: -58.942244
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -13.185
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: 461
Temperature: 1.300000
Total energy: -167.988207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.988207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.988207 (E_RNA)
where:
Base-Base interactions energy: -114.060
where: short stacking energy: -47.696
Base-Backbone interact. energy: -0.081
local terms energy: -53.847343
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -9.538
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -56.243342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.243342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.243342 (E_RNA)
where:
Base-Base interactions energy: -21.110
where: short stacking energy: -7.155
Base-Backbone interact. energy: -0.175
local terms energy: -34.958285
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -11.394
flat angles C4'-P-C4' energy: -7.067
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: 1.443
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: 462
Temperature: 0.900000
Total energy: -189.545690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.545690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.545690 (E_RNA)
where:
Base-Base interactions energy: -129.796
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.003
local terms energy: -59.746955
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -14.148
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: 2
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -186.553970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.553970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.553970 (E_RNA)
where:
Base-Base interactions energy: -131.619
where: short stacking energy: -57.410
Base-Backbone interact. energy: -0.003
local terms energy: -54.932613
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -15.587
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: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -187.412093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412093 (E_RNA)
where:
Base-Base interactions energy: -126.775
where: short stacking energy: -61.162
Base-Backbone interact. energy: -0.003
local terms energy: -60.634343
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -16.869
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: 4, replica: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -181.401607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401607 (E_RNA)
where:
Base-Base interactions energy: -126.773
where: short stacking energy: -49.595
Base-Backbone interact. energy: -0.319
local terms energy: -54.309260
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -10.757
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -185.061726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.061726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.061726 (E_RNA)
where:
Base-Base interactions energy: -124.148
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.000
local terms energy: -60.913269
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -176.991022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.991022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.991022 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -54.310
Base-Backbone interact. energy: -0.093
local terms energy: -53.712266
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -13.346
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: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -174.436243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.436243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.436243 (E_RNA)
where:
Base-Base interactions energy: -117.716
where: short stacking energy: -47.551
Base-Backbone interact. energy: -0.232
local terms energy: -56.488067
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -13.118
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: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -178.491484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.491484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.491484 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -54.884
Base-Backbone interact. energy: -0.007
local terms energy: -55.074404
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -8.129
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -13.817
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: 9, replica: 8
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -157.129449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.129449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.129449 (E_RNA)
where:
Base-Base interactions energy: -110.524
where: short stacking energy: -42.643
Base-Backbone interact. energy: -0.866
local terms energy: -45.739515
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -10.919
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -0.059
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: 10, replica: 6
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -66.079327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.079327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.079327 (E_RNA)
where:
Base-Base interactions energy: -21.909
where: short stacking energy: -20.354
Base-Backbone interact. energy: -0.015
local terms energy: -44.155688
where:
bonds (distance) C4'-P energy: -8.756
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -10.045
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -3.896
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: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -194.724955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.724955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.724955 (E_RNA)
where:
Base-Base interactions energy: -133.713
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.487
local terms energy: -60.524957
where:
bonds (distance) C4'-P energy: -10.101
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -5.719
tors. eta vs tors. theta energy: -17.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -189.035430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.035430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.035430 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.070
local terms energy: -49.030755
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -8.402
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -185.640135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.640135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.640135 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.140
local terms energy: -62.677156
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -16.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -184.247146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.247146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.247146 (E_RNA)
where:
Base-Base interactions energy: -128.290
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.000
local terms energy: -55.957470
where:
bonds (distance) C4'-P energy: -5.749
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -180.699779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.699779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.699779 (E_RNA)
where:
Base-Base interactions energy: -121.902
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.002
local terms energy: -58.795945
where:
bonds (distance) C4'-P energy: -8.988
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -178.781482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.781482 (E_RNA)
where:
Base-Base interactions energy: -127.850
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.177
local terms energy: -50.754173
where:
bonds (distance) C4'-P energy: -10.288
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -5.403
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -176.116865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.116865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.116865 (E_RNA)
where:
Base-Base interactions energy: -118.060
where: short stacking energy: -47.971
Base-Backbone interact. energy: -0.049
local terms energy: -58.007692
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -12.296
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: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -174.021799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.021799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.021799 (E_RNA)
where:
Base-Base interactions energy: -117.277
where: short stacking energy: -54.328
Base-Backbone interact. energy: -0.000
local terms energy: -56.744455
where:
bonds (distance) C4'-P energy: -9.435
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -172.628578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.628578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.628578 (E_RNA)
where:
Base-Base interactions energy: -119.983
where: short stacking energy: -56.296
Base-Backbone interact. energy: 1.254
local terms energy: -53.899868
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -14.160
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: 6
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -68.729315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.729315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.729315 (E_RNA)
where:
Base-Base interactions energy: -26.464
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.081
local terms energy: -42.183826
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -9.952
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -4.099
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -191.920932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.920932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.920932 (E_RNA)
where:
Base-Base interactions energy: -129.479
where: short stacking energy: -60.650
Base-Backbone interact. energy: -0.019
local terms energy: -62.423709
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -7.275
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: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -190.820208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.820208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.820208 (E_RNA)
where:
Base-Base interactions energy: -128.070
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.001
local terms energy: -62.749633
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -188.667827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.667827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.667827 (E_RNA)
where:
Base-Base interactions energy: -128.976
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.001
local terms energy: -59.690819
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -15.720
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -178.490613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.490613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.490613 (E_RNA)
where:
Base-Base interactions energy: -123.683
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.411
local terms energy: -54.397034
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -186.408824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.408824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.408824 (E_RNA)
where:
Base-Base interactions energy: -133.976
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.731
local terms energy: -51.701340
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -12.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -177.645013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.645013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.645013 (E_RNA)
where:
Base-Base interactions energy: -120.268
where: short stacking energy: -57.044
Base-Backbone interact. energy: -0.097
local terms energy: -57.279967
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -15.311
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: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -167.275772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.275772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.275772 (E_RNA)
where:
Base-Base interactions energy: -113.402
where: short stacking energy: -49.791
Base-Backbone interact. energy: -0.131
local terms energy: -53.743094
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -9.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -177.615347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.615347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.615347 (E_RNA)
where:
Base-Base interactions energy: -123.427
where: short stacking energy: -54.482
Base-Backbone interact. energy: -0.102
local terms energy: -54.086259
where:
bonds (distance) C4'-P energy: -8.763
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -172.297822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.297822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.297822 (E_RNA)
where:
Base-Base interactions energy: -126.791
where: short stacking energy: -59.547
Base-Backbone interact. energy: -0.001
local terms energy: -45.505759
where:
bonds (distance) C4'-P energy: -6.725
bonds (distance) P-C4' energy: -7.014
flat angles C4'-P-C4' energy: -8.995
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -58.915226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -58.915226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -58.915226 (E_RNA)
where:
Base-Base interactions energy: -17.375
where: short stacking energy: -13.179
Base-Backbone interact. energy: -0.871
local terms energy: -40.668496
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -0.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -194.820274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.820274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.820274 (E_RNA)
where:
Base-Base interactions energy: -132.744
where: short stacking energy: -59.427
Base-Backbone interact. energy: -0.011
local terms energy: -62.065331
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -10.435
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -15.264
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: 2, replica: 10
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -186.110907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110907 (E_RNA)
where:
Base-Base interactions energy: -133.223
where: short stacking energy: -51.993
Base-Backbone interact. energy: -0.212
local terms energy: -52.675953
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -11.217
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -10.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -188.463957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.463957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.463957 (E_RNA)
where:
Base-Base interactions energy: -126.987
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.003
local terms energy: -61.474574
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -180.329362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.329362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.329362 (E_RNA)
where:
Base-Base interactions energy: -127.240
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.318
local terms energy: -52.771908
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -15.064
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: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -183.254793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.254793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.254793 (E_RNA)
where:
Base-Base interactions energy: -124.748
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.222
local terms energy: -58.284280
where:
bonds (distance) C4'-P energy: -10.805
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -14.437
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: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -173.593495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.593495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.593495 (E_RNA)
where:
Base-Base interactions energy: -114.945
where: short stacking energy: -45.853
Base-Backbone interact. energy: 0.087
local terms energy: -58.735441
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -10.700
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -178.388050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.388050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.388050 (E_RNA)
where:
Base-Base interactions energy: -119.844
where: short stacking energy: -55.950
Base-Backbone interact. energy: -0.030
local terms energy: -58.514646
where:
bonds (distance) C4'-P energy: -8.728
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -165.851844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.851844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.851844 (E_RNA)
where:
Base-Base interactions energy: -115.897
where: short stacking energy: -49.306
Base-Backbone interact. energy: -0.075
local terms energy: -49.879569
where:
bonds (distance) C4'-P energy: -6.678
bonds (distance) P-C4' energy: -5.977
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -14.270
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: 465
Temperature: 1.300000
Total energy: -173.744720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.744720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.744720 (E_RNA)
where:
Base-Base interactions energy: -123.852
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.011
local terms energy: -49.881268
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -70.893150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.893150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.893150 (E_RNA)
where:
Base-Base interactions energy: -36.958
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.211
local terms energy: -33.724177
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -10.993
flat angles C4'-P-C4' energy: -2.604
flat angles P-C4'-P energy: -3.233
tors. eta vs tors. theta energy: -6.799
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -185.025958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.025958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.025958 (E_RNA)
where:
Base-Base interactions energy: -127.208
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.002
local terms energy: -57.816127
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -13.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -186.530709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.530709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.530709 (E_RNA)
where:
Base-Base interactions energy: -127.813
where: short stacking energy: -60.017
Base-Backbone interact. energy: 1.151
local terms energy: -59.867906
where:
bonds (distance) C4'-P energy: -8.877
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -14.960
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: 5
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -191.757503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.757503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.757503 (E_RNA)
where:
Base-Base interactions energy: -125.847
where: short stacking energy: -59.120
Base-Backbone interact. energy: -0.578
local terms energy: -65.332725
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -179.763232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.763232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.763232 (E_RNA)
where:
Base-Base interactions energy: -128.195
where: short stacking energy: -48.958
Base-Backbone interact. energy: -0.023
local terms energy: -51.545068
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -178.999874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.999874 (E_RNA)
where:
Base-Base interactions energy: -122.765
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.042
local terms energy: -56.192555
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -9.098
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -12.112
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: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -177.805353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.805353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.805353 (E_RNA)
where:
Base-Base interactions energy: -124.355
where: short stacking energy: -48.693
Base-Backbone interact. energy: -0.430
local terms energy: -53.019830
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -10.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -168.304115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.304115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.304115 (E_RNA)
where:
Base-Base interactions energy: -112.358
where: short stacking energy: -48.014
Base-Backbone interact. energy: 0.046
local terms energy: -55.992198
where:
bonds (distance) C4'-P energy: -9.749
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -177.461655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.461655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.461655 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.002
local terms energy: -52.563637
where:
bonds (distance) C4'-P energy: -12.411
bonds (distance) P-C4' energy: -9.784
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -13.643
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: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -166.085904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.085904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.085904 (E_RNA)
where:
Base-Base interactions energy: -114.920
where: short stacking energy: -47.138
Base-Backbone interact. energy: -0.101
local terms energy: -51.065447
where:
bonds (distance) C4'-P energy: -11.986
bonds (distance) P-C4' energy: -6.031
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -15.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -79.259780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.259780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.259780 (E_RNA)
where:
Base-Base interactions energy: -27.352
where: short stacking energy: -23.914
Base-Backbone interact. energy: -1.147
local terms energy: -50.761179
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -190.513128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.513128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.513128 (E_RNA)
where:
Base-Base interactions energy: -134.215
where: short stacking energy: -59.275
Base-Backbone interact. energy: -0.092
local terms energy: -56.206887
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -12.295
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: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -192.078509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.078509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.078509 (E_RNA)
where:
Base-Base interactions energy: -130.723
where: short stacking energy: -60.997
Base-Backbone interact. energy: -0.211
local terms energy: -61.144339
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -15.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -190.622137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.622137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.622137 (E_RNA)
where:
Base-Base interactions energy: -126.995
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.046
local terms energy: -63.581585
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -191.186629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186629 (E_RNA)
where:
Base-Base interactions energy: -133.143
where: short stacking energy: -60.045
Base-Backbone interact. energy: -0.157
local terms energy: -57.886901
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -171.090075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.090075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.090075 (E_RNA)
where:
Base-Base interactions energy: -116.262
where: short stacking energy: -44.765
Base-Backbone interact. energy: -0.121
local terms energy: -54.707267
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -10.679
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: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -174.290076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.290076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.290076 (E_RNA)
where:
Base-Base interactions energy: -116.625
where: short stacking energy: -49.182
Base-Backbone interact. energy: -0.100
local terms energy: -57.564537
where:
bonds (distance) C4'-P energy: -11.488
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -169.672759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.672759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.672759 (E_RNA)
where:
Base-Base interactions energy: -123.113
where: short stacking energy: -50.842
Base-Backbone interact. energy: -0.081
local terms energy: -46.478245
where:
bonds (distance) C4'-P energy: -10.383
bonds (distance) P-C4' energy: -3.006
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -158.892618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.892618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.892618 (E_RNA)
where:
Base-Base interactions energy: -107.845
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.028
local terms energy: -51.019487
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -8.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -168.967051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.967051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.967051 (E_RNA)
where:
Base-Base interactions energy: -115.521
where: short stacking energy: -49.947
Base-Backbone interact. energy: -0.136
local terms energy: -53.309600
where:
bonds (distance) C4'-P energy: -10.031
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -12.498
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: 10, replica: 6
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -64.341347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.341347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.341347 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -24.230
Base-Backbone interact. energy: -0.486
local terms energy: -32.959906
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: 0.864
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: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -192.760559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.760559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.760559 (E_RNA)
where:
Base-Base interactions energy: -132.415
where: short stacking energy: -58.764
Base-Backbone interact. energy: -0.039
local terms energy: -60.306373
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -13.012
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: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -191.086073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.086073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.086073 (E_RNA)
where:
Base-Base interactions energy: -131.652
where: short stacking energy: -61.890
Base-Backbone interact. energy: -0.039
local terms energy: -59.394853
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -13.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -185.687921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.687921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.687921 (E_RNA)
where:
Base-Base interactions energy: -127.918
where: short stacking energy: -59.111
Base-Backbone interact. energy: -0.002
local terms energy: -57.767523
where:
bonds (distance) C4'-P energy: -9.630
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.661
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -178.953323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.953323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.953323 (E_RNA)
where:
Base-Base interactions energy: -121.315
where: short stacking energy: -55.486
Base-Backbone interact. energy: -0.088
local terms energy: -57.550244
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -12.078
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: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -183.606664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.606664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.606664 (E_RNA)
where:
Base-Base interactions energy: -128.964
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.633
local terms energy: -54.008993
where:
bonds (distance) C4'-P energy: -5.179
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -179.271310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.271310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.271310 (E_RNA)
where:
Base-Base interactions energy: -122.006
where: short stacking energy: -52.756
Base-Backbone interact. energy: -0.001
local terms energy: -57.264042
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -15.846
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: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -172.336286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.336286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.336286 (E_RNA)
where:
Base-Base interactions energy: -118.409
where: short stacking energy: -52.138
Base-Backbone interact. energy: 2.754
local terms energy: -56.681715
where:
bonds (distance) C4'-P energy: -6.570
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -14.479
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: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -173.550119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.550119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.550119 (E_RNA)
where:
Base-Base interactions energy: -123.829
where: short stacking energy: -58.486
Base-Backbone interact. energy: 0.335
local terms energy: -50.056249
where:
bonds (distance) C4'-P energy: -5.113
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -165.032188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.032188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.032188 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -59.049
Base-Backbone interact. energy: -0.000
local terms energy: -45.346114
where:
bonds (distance) C4'-P energy: -7.418
bonds (distance) P-C4' energy: -7.388
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -13.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -74.117495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.117495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.117495 (E_RNA)
where:
Base-Base interactions energy: -41.920
where: short stacking energy: -16.387
Base-Backbone interact. energy: -0.281
local terms energy: -31.916759
where:
bonds (distance) C4'-P energy: -5.022
bonds (distance) P-C4' energy: -7.397
flat angles C4'-P-C4' energy: -11.045
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -3.539
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: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -190.863336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.863336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.863336 (E_RNA)
where:
Base-Base interactions energy: -128.486
where: short stacking energy: -57.084
Base-Backbone interact. energy: -0.001
local terms energy: -62.376487
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -194.950380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.950380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.950380 (E_RNA)
where:
Base-Base interactions energy: -132.389
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.025
local terms energy: -62.536764
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -13.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -187.600669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.600669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.600669 (E_RNA)
where:
Base-Base interactions energy: -126.896
where: short stacking energy: -56.174
Base-Backbone interact. energy: -0.000
local terms energy: -60.704717
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -181.127581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.127581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.127581 (E_RNA)
where:
Base-Base interactions energy: -124.743
where: short stacking energy: -55.220
Base-Backbone interact. energy: -1.532
local terms energy: -54.852277
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -182.251765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.251765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.251765 (E_RNA)
where:
Base-Base interactions energy: -125.280
where: short stacking energy: -57.142
Base-Backbone interact. energy: -0.023
local terms energy: -56.949358
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -13.513
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: 7
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -187.916063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.916063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.916063 (E_RNA)
where:
Base-Base interactions energy: -130.012
where: short stacking energy: -61.174
Base-Backbone interact. energy: 0.013
local terms energy: -57.916653
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -169.573971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.573971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.573971 (E_RNA)
where:
Base-Base interactions energy: -119.055
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.013
local terms energy: -50.505826
where:
bonds (distance) C4'-P energy: -8.068
bonds (distance) P-C4' energy: -8.255
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -169.840589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.840589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.840589 (E_RNA)
where:
Base-Base interactions energy: -114.725
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.152
local terms energy: -54.962985
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -10.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -159.241200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.241200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.241200 (E_RNA)
where:
Base-Base interactions energy: -115.455
where: short stacking energy: -49.793
Base-Backbone interact. energy: -0.076
local terms energy: -43.710047
where:
bonds (distance) C4'-P energy: -6.492
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -11.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -63.797487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.797487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.797487 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -15.943
Base-Backbone interact. energy: -0.294
local terms energy: -30.171770
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -10.240
flat angles C4'-P-C4' energy: -7.748
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: 2.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -193.504239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.504239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.504239 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.002
local terms energy: -61.373081
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -186.659490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.659490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.659490 (E_RNA)
where:
Base-Base interactions energy: -123.575
where: short stacking energy: -54.839
Base-Backbone interact. energy: -0.032
local terms energy: -63.052558
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -180.874838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.874838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.874838 (E_RNA)
where:
Base-Base interactions energy: -124.032
where: short stacking energy: -54.283
Base-Backbone interact. energy: -0.003
local terms energy: -56.839653
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -189.288232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.288232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.288232 (E_RNA)
where:
Base-Base interactions energy: -129.323
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.001
local terms energy: -59.964345
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -182.329240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.329240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.329240 (E_RNA)
where:
Base-Base interactions energy: -122.749
where: short stacking energy: -55.316
Base-Backbone interact. energy: -0.007
local terms energy: -59.573514
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -175.464909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.464909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.464909 (E_RNA)
where:
Base-Base interactions energy: -120.753
where: short stacking energy: -54.282
Base-Backbone interact. energy: -0.001
local terms energy: -54.710395
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -11.479
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -178.409414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.409414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.409414 (E_RNA)
where:
Base-Base interactions energy: -116.968
where: short stacking energy: -51.596
Base-Backbone interact. energy: -0.001
local terms energy: -61.440705
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -10.986
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -174.146351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.146351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.146351 (E_RNA)
where:
Base-Base interactions energy: -117.680
where: short stacking energy: -54.939
Base-Backbone interact. energy: -0.077
local terms energy: -56.389547
where:
bonds (distance) C4'-P energy: -8.930
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -15.584
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: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -169.788396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.788396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.788396 (E_RNA)
where:
Base-Base interactions energy: -119.232
where: short stacking energy: -54.086
Base-Backbone interact. energy: 1.182
local terms energy: -51.738324
where:
bonds (distance) C4'-P energy: -7.122
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -8.532
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.104
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: 10, replica: 6
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -60.385648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -60.385648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -60.385648 (E_RNA)
where:
Base-Base interactions energy: -29.099
where: short stacking energy: -24.044
Base-Backbone interact. energy: 0.181
local terms energy: -31.467644
where:
bonds (distance) C4'-P energy: -8.404
bonds (distance) P-C4' energy: -9.091
flat angles C4'-P-C4' energy: -8.459
flat angles P-C4'-P energy: -5.041
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: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -194.108209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.108209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.108209 (E_RNA)
where:
Base-Base interactions energy: -132.861
where: short stacking energy: -60.298
Base-Backbone interact. energy: -0.246
local terms energy: -61.001648
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -9.205
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -14.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -197.046352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.046352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.046352 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.004
local terms energy: -64.135674
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -15.691
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -189.621458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.621458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.621458 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.103
local terms energy: -57.274193
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -14.574
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: 7
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -186.870803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.870803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.870803 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -59.277
Base-Backbone interact. energy: 0.988
local terms energy: -59.968522
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -183.796450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.796450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.796450 (E_RNA)
where:
Base-Base interactions energy: -127.822
where: short stacking energy: -60.433
Base-Backbone interact. energy: -0.000
local terms energy: -55.973804
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -13.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -175.920314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920314 (E_RNA)
where:
Base-Base interactions energy: -122.063
where: short stacking energy: -58.628
Base-Backbone interact. energy: -0.038
local terms energy: -53.818869
where:
bonds (distance) C4'-P energy: -7.608
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -180.370501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.370501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.370501 (E_RNA)
where:
Base-Base interactions energy: -119.911
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.000
local terms energy: -60.458898
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -8.574
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -166.131651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.131651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.131651 (E_RNA)
where:
Base-Base interactions energy: -118.962
where: short stacking energy: -48.435
Base-Backbone interact. energy: -0.000
local terms energy: -47.169266
where:
bonds (distance) C4'-P energy: -8.885
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -3.975
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -173.724781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.724781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.724781 (E_RNA)
where:
Base-Base interactions energy: -118.313
where: short stacking energy: -45.074
Base-Backbone interact. energy: -0.223
local terms energy: -55.189437
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -8.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -61.966370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.966370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.966370 (E_RNA)
where:
Base-Base interactions energy: -26.062
where: short stacking energy: -22.480
Base-Backbone interact. energy: -0.502
local terms energy: -35.402898
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -194.361555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.361555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.361555 (E_RNA)
where:
Base-Base interactions energy: -132.578
where: short stacking energy: -62.021
Base-Backbone interact. energy: -0.002
local terms energy: -61.781623
where:
bonds (distance) C4'-P energy: -10.759
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -15.039
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: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -190.281955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.281955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.281955 (E_RNA)
where:
Base-Base interactions energy: -131.000
where: short stacking energy: -58.292
Base-Backbone interact. energy: -0.927
local terms energy: -58.354684
where:
bonds (distance) C4'-P energy: -9.969
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -14.133
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: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -184.770179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.770179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770179 (E_RNA)
where:
Base-Base interactions energy: -125.727
where: short stacking energy: -59.616
Base-Backbone interact. energy: -0.017
local terms energy: -59.026135
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -14.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -182.685255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.685255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.685255 (E_RNA)
where:
Base-Base interactions energy: -125.021
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.011
local terms energy: -57.654157
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -183.987285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.987285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987285 (E_RNA)
where:
Base-Base interactions energy: -125.005
where: short stacking energy: -61.002
Base-Backbone interact. energy: -0.003
local terms energy: -58.979093
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -9.799
flat angles C4'-P-C4' energy: -12.832
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -184.866405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.866405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.866405 (E_RNA)
where:
Base-Base interactions energy: -122.767
where: short stacking energy: -55.651
Base-Backbone interact. energy: -0.003
local terms energy: -62.096294
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -11.808
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -15.403
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: 472
Temperature: 1.200000
Total energy: -168.706693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.706693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.706693 (E_RNA)
where:
Base-Base interactions energy: -118.140
where: short stacking energy: -54.240
Base-Backbone interact. energy: -0.002
local terms energy: -50.564622
where:
bonds (distance) C4'-P energy: -8.351
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -2.820
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -168.270583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.270583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.270583 (E_RNA)
where:
Base-Base interactions energy: -117.029
where: short stacking energy: -46.135
Base-Backbone interact. energy: -0.025
local terms energy: -51.216492
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -8.216
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -13.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -168.020660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.020660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.020660 (E_RNA)
where:
Base-Base interactions energy: -116.157
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.023
local terms energy: -51.841348
where:
bonds (distance) C4'-P energy: -9.542
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -64.519460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.519460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.519460 (E_RNA)
where:
Base-Base interactions energy: -26.067
where: short stacking energy: -26.067
Base-Backbone interact. energy: -0.097
local terms energy: -38.355266
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -8.526
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -194.870368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.870368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.870368 (E_RNA)
where:
Base-Base interactions energy: -132.845
where: short stacking energy: -60.944
Base-Backbone interact. energy: -0.053
local terms energy: -61.972523
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -11.733
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -195.523180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.523180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.523180 (E_RNA)
where:
Base-Base interactions energy: -132.567
where: short stacking energy: -58.610
Base-Backbone interact. energy: -0.553
local terms energy: -62.402721
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -14.733
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: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -186.961109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.961109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.961109 (E_RNA)
where:
Base-Base interactions energy: -124.141
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.016
local terms energy: -62.804573
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -17.536
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: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -182.344729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.344729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.344729 (E_RNA)
where:
Base-Base interactions energy: -122.776
where: short stacking energy: -54.773
Base-Backbone interact. energy: -0.003
local terms energy: -59.566554
where:
bonds (distance) C4'-P energy: -9.328
bonds (distance) P-C4' energy: -12.004
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -14.217
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: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -177.810032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.810032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.810032 (E_RNA)
where:
Base-Base interactions energy: -121.069
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.014
local terms energy: -56.727211
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -171.357315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.357315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.357315 (E_RNA)
where:
Base-Base interactions energy: -116.642
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.002
local terms energy: -54.713174
where:
bonds (distance) C4'-P energy: -10.317
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -12.795
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: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -172.256735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.256735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.256735 (E_RNA)
where:
Base-Base interactions energy: -122.871
where: short stacking energy: -46.082
Base-Backbone interact. energy: -0.124
local terms energy: -49.261378
where:
bonds (distance) C4'-P energy: -9.456
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -171.074771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.074771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.074771 (E_RNA)
where:
Base-Base interactions energy: -121.299
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.076
local terms energy: -49.700326
where:
bonds (distance) C4'-P energy: -3.022
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -155.212670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.212670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.212670 (E_RNA)
where:
Base-Base interactions energy: -110.700
where: short stacking energy: -51.301
Base-Backbone interact. energy: -0.005
local terms energy: -44.508164
where:
bonds (distance) C4'-P energy: -7.081
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -2.849
tors. eta vs tors. theta energy: -12.015
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: 10, replica: 6
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -56.413517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -56.413517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -56.413517 (E_RNA)
where:
Base-Base interactions energy: -14.793
where: short stacking energy: -14.247
Base-Backbone interact. energy: -0.056
local terms energy: -41.564353
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -195.018283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.018283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.018283 (E_RNA)
where:
Base-Base interactions energy: -130.844
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.007
local terms energy: -64.167004
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -17.002
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: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -192.182693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.182693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.182693 (E_RNA)
where:
Base-Base interactions energy: -133.254
where: short stacking energy: -61.267
Base-Backbone interact. energy: -0.001
local terms energy: -58.927786
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -9.759
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -189.976340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.976340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.976340 (E_RNA)
where:
Base-Base interactions energy: -131.179
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.014
local terms energy: -58.783479
where:
bonds (distance) C4'-P energy: -8.528
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -16.790
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: 474
Temperature: 1.050000
Total energy: -186.809516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.809516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.809516 (E_RNA)
where:
Base-Base interactions energy: -125.101
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.000
local terms energy: -61.708403
where:
bonds (distance) C4'-P energy: -13.769
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -13.677
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: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -192.762340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.762340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.762340 (E_RNA)
where:
Base-Base interactions energy: -137.056
where: short stacking energy: -61.378
Base-Backbone interact. energy: -0.002
local terms energy: -55.703839
where:
bonds (distance) C4'-P energy: -7.265
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -17.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -174.307840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.307840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.307840 (E_RNA)
where:
Base-Base interactions energy: -118.367
where: short stacking energy: -47.509
Base-Backbone interact. energy: -0.003
local terms energy: -55.938491
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -13.937
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: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -174.570028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.570028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.570028 (E_RNA)
where:
Base-Base interactions energy: -118.794
where: short stacking energy: -48.602
Base-Backbone interact. energy: -0.077
local terms energy: -55.699254
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -12.532
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -170.383821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383821 (E_RNA)
where:
Base-Base interactions energy: -117.908
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.001
local terms energy: -52.474533
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -10.166
flat angles C4'-P-C4' energy: -10.757
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -12.541
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: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -162.382372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.382372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.382372 (E_RNA)
where:
Base-Base interactions energy: -110.995
where: short stacking energy: -42.086
Base-Backbone interact. energy: -0.032
local terms energy: -51.354502
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -11.259
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -9.971
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: 10, replica: 6
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -69.842230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.842230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.842230 (E_RNA)
where:
Base-Base interactions energy: -26.783
where: short stacking energy: -26.783
Base-Backbone interact. energy: -0.222
local terms energy: -42.836972
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -194.568696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.568696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.568696 (E_RNA)
where:
Base-Base interactions energy: -135.640
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.004
local terms energy: -58.924635
where:
bonds (distance) C4'-P energy: -10.313
bonds (distance) P-C4' energy: -9.841
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -194.411238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411238 (E_RNA)
where:
Base-Base interactions energy: -132.785
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.001
local terms energy: -61.625174
where:
bonds (distance) C4'-P energy: -10.772
bonds (distance) P-C4' energy: -11.542
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -17.235
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: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -190.453112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453112 (E_RNA)
where:
Base-Base interactions energy: -129.559
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.028
local terms energy: -60.866747
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -192.166730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.166730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.166730 (E_RNA)
where:
Base-Base interactions energy: -128.358
where: short stacking energy: -55.276
Base-Backbone interact. energy: -0.001
local terms energy: -63.808042
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -188.826769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.826769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.826769 (E_RNA)
where:
Base-Base interactions energy: -133.398
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.001
local terms energy: -55.428601
where:
bonds (distance) C4'-P energy: -7.597
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: -14.451
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: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -178.728671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.728671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.728671 (E_RNA)
where:
Base-Base interactions energy: -119.941
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.021
local terms energy: -58.767490
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -179.241775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.241775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.241775 (E_RNA)
where:
Base-Base interactions energy: -121.233
where: short stacking energy: -54.142
Base-Backbone interact. energy: -0.254
local terms energy: -57.754953
where:
bonds (distance) C4'-P energy: -8.992
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -175.864687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.864687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.864687 (E_RNA)
where:
Base-Base interactions energy: -123.456
where: short stacking energy: -60.807
Base-Backbone interact. energy: -0.433
local terms energy: -51.975661
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -8.384
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -142.845932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.845932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.845932 (E_RNA)
where:
Base-Base interactions energy: -100.490
where: short stacking energy: -38.402
Base-Backbone interact. energy: -0.182
local terms energy: -42.174125
where:
bonds (distance) C4'-P energy: -10.233
bonds (distance) P-C4' energy: -9.037
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -7.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -64.886704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.886704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.886704 (E_RNA)
where:
Base-Base interactions energy: -23.004
where: short stacking energy: -23.004
Base-Backbone interact. energy: -0.169
local terms energy: -41.713503
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -11.636
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -3.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -192.885444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.885444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.885444 (E_RNA)
where:
Base-Base interactions energy: -130.434
where: short stacking energy: -58.660
Base-Backbone interact. energy: -0.003
local terms energy: -62.448678
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -185.095848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.095848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.095848 (E_RNA)
where:
Base-Base interactions energy: -131.658
where: short stacking energy: -62.126
Base-Backbone interact. energy: -0.003
local terms energy: -53.434941
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -186.649641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.649641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.649641 (E_RNA)
where:
Base-Base interactions energy: -125.017
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.002
local terms energy: -61.631083
where:
bonds (distance) C4'-P energy: -10.333
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -14.861
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: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -190.453842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.453842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.453842 (E_RNA)
where:
Base-Base interactions energy: -132.515
where: short stacking energy: -62.265
Base-Backbone interact. energy: -0.057
local terms energy: -57.881002
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -10.090
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -177.225643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.225643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.225643 (E_RNA)
where:
Base-Base interactions energy: -123.923
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.004
local terms energy: -53.298777
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -8.364
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -5.944
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -182.116948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.116948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.116948 (E_RNA)
where:
Base-Base interactions energy: -121.582
where: short stacking energy: -54.915
Base-Backbone interact. energy: -0.018
local terms energy: -60.516197
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -175.856375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.856375 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -51.441
Base-Backbone interact. energy: -0.001
local terms energy: -56.584533
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -4.078
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -171.676583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.676583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.676583 (E_RNA)
where:
Base-Base interactions energy: -119.468
where: short stacking energy: -53.750
Base-Backbone interact. energy: -0.787
local terms energy: -51.421989
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -7.820
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -14.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -181.455325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455325 (E_RNA)
where:
Base-Base interactions energy: -121.567
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.012
local terms energy: -59.876560
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -72.078161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.078161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.078161 (E_RNA)
where:
Base-Base interactions energy: -33.065
where: short stacking energy: -23.743
Base-Backbone interact. energy: -1.428
local terms energy: -37.585128
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -0.987
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: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -189.446564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.446564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.446564 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -59.632
Base-Backbone interact. energy: -0.025
local terms energy: -59.627124
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -14.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -193.673962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.673962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.673962 (E_RNA)
where:
Base-Base interactions energy: -131.514
where: short stacking energy: -60.691
Base-Backbone interact. energy: -0.001
local terms energy: -62.158563
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -15.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -185.820278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.820278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.820278 (E_RNA)
where:
Base-Base interactions energy: -129.043
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.171
local terms energy: -56.607070
where:
bonds (distance) C4'-P energy: -11.575
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -12.666
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -190.482363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.482363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.482363 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -58.823
Base-Backbone interact. energy: -0.036
local terms energy: -59.399770
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -181.266132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.266132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.266132 (E_RNA)
where:
Base-Base interactions energy: -132.259
where: short stacking energy: -56.125
Base-Backbone interact. energy: -0.828
local terms energy: -48.178964
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -9.760
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: 477
Temperature: 1.150000
Total energy: -178.567384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567384 (E_RNA)
where:
Base-Base interactions energy: -122.600
where: short stacking energy: -58.624
Base-Backbone interact. energy: -0.058
local terms energy: -55.909576
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -173.770303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.770303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.770303 (E_RNA)
where:
Base-Base interactions energy: -119.393
where: short stacking energy: -56.728
Base-Backbone interact. energy: -0.013
local terms energy: -54.364603
where:
bonds (distance) C4'-P energy: -9.667
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -6.946
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -165.237588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.237588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.237588 (E_RNA)
where:
Base-Base interactions energy: -115.629
where: short stacking energy: -50.751
Base-Backbone interact. energy: 0.392
local terms energy: -49.999787
where:
bonds (distance) C4'-P energy: -9.758
bonds (distance) P-C4' energy: -10.314
flat angles C4'-P-C4' energy: -11.663
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -10.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -161.296497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.296497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.296497 (E_RNA)
where:
Base-Base interactions energy: -119.589
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.005
local terms energy: -41.702169
where:
bonds (distance) C4'-P energy: -1.596
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -68.372749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.372749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.372749 (E_RNA)
where:
Base-Base interactions energy: -41.494
where: short stacking energy: -27.972
Base-Backbone interact. energy: -0.141
local terms energy: -26.737965
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -9.507
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: 1.591
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -194.050801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.050801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.050801 (E_RNA)
where:
Base-Base interactions energy: -133.122
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.001
local terms energy: -60.927358
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.338
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -15.961
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: 2, replica: 10
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -193.164180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164180 (E_RNA)
where:
Base-Base interactions energy: -134.769
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.002
local terms energy: -58.393260
where:
bonds (distance) C4'-P energy: -10.371
bonds (distance) P-C4' energy: -9.191
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -15.999
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: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -187.691499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.691499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.691499 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.094
local terms energy: -57.064621
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.178
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: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -188.882345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.882345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.882345 (E_RNA)
where:
Base-Base interactions energy: -129.411
where: short stacking energy: -58.969
Base-Backbone interact. energy: -0.003
local terms energy: -59.468879
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -184.861026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.861026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.861026 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.124
local terms energy: -58.167746
where:
bonds (distance) C4'-P energy: -11.496
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -12.023
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: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -167.406271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.406271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.406271 (E_RNA)
where:
Base-Base interactions energy: -113.668
where: short stacking energy: -45.168
Base-Backbone interact. energy: -0.020
local terms energy: -53.718747
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -13.358
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: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -168.661139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.661139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.661139 (E_RNA)
where:
Base-Base interactions energy: -116.452
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.199
local terms energy: -52.010173
where:
bonds (distance) C4'-P energy: -8.541
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -11.905
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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -174.577402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.577402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.577402 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.016
local terms energy: -55.456680
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -9.762
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -68.041247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.041247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.041247 (E_RNA)
where:
Base-Base interactions energy: -28.581
where: short stacking energy: -24.680
Base-Backbone interact. energy: -0.270
local terms energy: -39.190717
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -160.719345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.719345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.719345 (E_RNA)
where:
Base-Base interactions energy: -110.036
where: short stacking energy: -43.263
Base-Backbone interact. energy: -1.321
local terms energy: -49.362758
where:
bonds (distance) C4'-P energy: -8.818
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -9.372
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -9.796
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: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -193.221162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.221162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.221162 (E_RNA)
where:
Base-Base interactions energy: -133.058
where: short stacking energy: -61.223
Base-Backbone interact. energy: -0.003
local terms energy: -60.160205
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -191.706288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.706288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.706288 (E_RNA)
where:
Base-Base interactions energy: -132.095
where: short stacking energy: -56.286
Base-Backbone interact. energy: -0.001
local terms energy: -59.610093
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -188.605603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.605603 (E_RNA)
where:
Base-Base interactions energy: -130.007
where: short stacking energy: -54.268
Base-Backbone interact. energy: -0.081
local terms energy: -58.517281
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -13.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -185.517254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517254 (E_RNA)
where:
Base-Base interactions energy: -125.826
where: short stacking energy: -52.391
Base-Backbone interact. energy: -0.073
local terms energy: -59.618090
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -11.249
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -15.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -185.515537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.515537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.515537 (E_RNA)
where:
Base-Base interactions energy: -127.232
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.010
local terms energy: -58.273524
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -182.196977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.196977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.196977 (E_RNA)
where:
Base-Base interactions energy: -125.583
where: short stacking energy: -54.772
Base-Backbone interact. energy: -0.000
local terms energy: -56.613579
where:
bonds (distance) C4'-P energy: -9.087
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -13.355
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: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -177.506759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506759 (E_RNA)
where:
Base-Base interactions energy: -118.156
where: short stacking energy: -50.457
Base-Backbone interact. energy: -0.042
local terms energy: -59.308566
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -10.309
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -14.675
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: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -170.156060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.156060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.156060 (E_RNA)
where:
Base-Base interactions energy: -114.508
where: short stacking energy: -53.044
Base-Backbone interact. energy: -0.018
local terms energy: -55.630623
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -10.510
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -66.644055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.644055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.644055 (E_RNA)
where:
Base-Base interactions energy: -27.109
where: short stacking energy: -20.894
Base-Backbone interact. energy: -0.211
local terms energy: -39.324039
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -139.976365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.976365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.976365 (E_RNA)
where:
Base-Base interactions energy: -100.885
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.175
local terms energy: -38.916386
where:
bonds (distance) C4'-P energy: -8.123
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -5.529
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: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -194.002803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.002803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.002803 (E_RNA)
where:
Base-Base interactions energy: -131.705
where: short stacking energy: -61.917
Base-Backbone interact. energy: -0.007
local terms energy: -62.290664
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -16.470
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -188.677533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.677533 (E_RNA)
where:
Base-Base interactions energy: -129.642
where: short stacking energy: -63.037
Base-Backbone interact. energy: -0.011
local terms energy: -59.025112
where:
bonds (distance) C4'-P energy: -9.729
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -17.044
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: 5
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -184.000422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.000422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.000422 (E_RNA)
where:
Base-Base interactions energy: -124.275
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.019
local terms energy: -59.706812
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -11.303
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -177.843822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.843822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.843822 (E_RNA)
where:
Base-Base interactions energy: -126.070
where: short stacking energy: -50.611
Base-Backbone interact. energy: -0.032
local terms energy: -51.740922
where:
bonds (distance) C4'-P energy: -9.865
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -8.909
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: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -179.784836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.784836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.784836 (E_RNA)
where:
Base-Base interactions energy: -125.807
where: short stacking energy: -57.079
Base-Backbone interact. energy: -0.011
local terms energy: -53.966649
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -12.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -178.527998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.527998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.527998 (E_RNA)
where:
Base-Base interactions energy: -121.136
where: short stacking energy: -55.970
Base-Backbone interact. energy: -0.024
local terms energy: -57.367421
where:
bonds (distance) C4'-P energy: -9.585
bonds (distance) P-C4' energy: -5.869
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -16.658
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: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -174.808137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.808137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.808137 (E_RNA)
where:
Base-Base interactions energy: -116.071
where: short stacking energy: -52.215
Base-Backbone interact. energy: -0.724
local terms energy: -58.013462
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -163.735878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.735878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.735878 (E_RNA)
where:
Base-Base interactions energy: -117.353
where: short stacking energy: -49.483
Base-Backbone interact. energy: -0.320
local terms energy: -46.062431
where:
bonds (distance) C4'-P energy: -6.897
bonds (distance) P-C4' energy: -8.335
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -11.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -147.364563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.364563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.364563 (E_RNA)
where:
Base-Base interactions energy: -97.785
where: short stacking energy: -44.810
Base-Backbone interact. energy: -0.850
local terms energy: -48.729755
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -8.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -67.886991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.886991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.886991 (E_RNA)
where:
Base-Base interactions energy: -37.267
where: short stacking energy: -37.267
Base-Backbone interact. energy: -0.019
local terms energy: -30.600426
where:
bonds (distance) C4'-P energy: -4.571
bonds (distance) P-C4' energy: -10.601
flat angles C4'-P-C4' energy: -5.186
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -7.475
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: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -197.386672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.386672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.386672 (E_RNA)
where:
Base-Base interactions energy: -134.082
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.411
local terms energy: -62.893180
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -17.518
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: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -189.370439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.370439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.370439 (E_RNA)
where:
Base-Base interactions energy: -129.180
where: short stacking energy: -55.119
Base-Backbone interact. energy: -0.003
local terms energy: -60.187866
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -14.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -191.890746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.890746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.890746 (E_RNA)
where:
Base-Base interactions energy: -130.938
where: short stacking energy: -60.717
Base-Backbone interact. energy: -0.025
local terms energy: -60.928168
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.313
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: 4, replica: 9
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -180.845366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.845366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.845366 (E_RNA)
where:
Base-Base interactions energy: -123.164
where: short stacking energy: -59.889
Base-Backbone interact. energy: -0.587
local terms energy: -57.094244
where:
bonds (distance) C4'-P energy: -11.397
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -10.688
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -15.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -180.200664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.200664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.200664 (E_RNA)
where:
Base-Base interactions energy: -122.213
where: short stacking energy: -58.968
Base-Backbone interact. energy: -0.002
local terms energy: -57.985293
where:
bonds (distance) C4'-P energy: -9.455
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -176.819959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.819959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.819959 (E_RNA)
where:
Base-Base interactions energy: -123.219
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.001
local terms energy: -53.599992
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -6.246
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -16.955
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: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -176.122791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.122791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.122791 (E_RNA)
where:
Base-Base interactions energy: -120.662
where: short stacking energy: -54.866
Base-Backbone interact. energy: -0.000
local terms energy: -55.460518
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -6.677
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: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -172.218712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.218712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.218712 (E_RNA)
where:
Base-Base interactions energy: -125.656
where: short stacking energy: -57.839
Base-Backbone interact. energy: -0.107
local terms energy: -46.456113
where:
bonds (distance) C4'-P energy: -8.788
bonds (distance) P-C4' energy: -8.647
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -12.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -167.349680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.349680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.349680 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -49.808
Base-Backbone interact. energy: -0.012
local terms energy: -53.282556
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -70.471489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.471489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.471489 (E_RNA)
where:
Base-Base interactions energy: -34.208
where: short stacking energy: -28.547
Base-Backbone interact. energy: -0.255
local terms energy: -36.008408
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -11.057
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -5.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -195.247955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.247955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.247955 (E_RNA)
where:
Base-Base interactions energy: -133.941
where: short stacking energy: -62.754
Base-Backbone interact. energy: -0.021
local terms energy: -61.286406
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -11.537
flat angles C4'-P-C4' energy: -12.464
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -190.897977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.897977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.897977 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -53.790
Base-Backbone interact. energy: -0.001
local terms energy: -62.976213
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -189.434184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.434184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.434184 (E_RNA)
where:
Base-Base interactions energy: -126.197
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.007
local terms energy: -63.229369
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -17.801
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: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -181.467710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.467710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.467710 (E_RNA)
where:
Base-Base interactions energy: -121.156
where: short stacking energy: -58.662
Base-Backbone interact. energy: -0.005
local terms energy: -60.306629
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -16.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -177.426247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.426247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.426247 (E_RNA)
where:
Base-Base interactions energy: -125.113
where: short stacking energy: -57.137
Base-Backbone interact. energy: -0.010
local terms energy: -52.302950
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -7.538
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -16.198
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: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -178.662980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.662980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.662980 (E_RNA)
where:
Base-Base interactions energy: -123.366
where: short stacking energy: -55.305
Base-Backbone interact. energy: 0.541
local terms energy: -55.837376
where:
bonds (distance) C4'-P energy: -9.331
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -12.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -181.666946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.666946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.666946 (E_RNA)
where:
Base-Base interactions energy: -122.387
where: short stacking energy: -55.239
Base-Backbone interact. energy: -0.183
local terms energy: -59.096715
where:
bonds (distance) C4'-P energy: -8.536
bonds (distance) P-C4' energy: -12.635
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -16.396
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: 8, replica: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -172.938115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938115 (E_RNA)
where:
Base-Base interactions energy: -122.628
where: short stacking energy: -50.967
Base-Backbone interact. energy: -0.001
local terms energy: -50.308334
where:
bonds (distance) C4'-P energy: -8.889
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -11.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -170.813477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.813477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.813477 (E_RNA)
where:
Base-Base interactions energy: -121.027
where: short stacking energy: -54.893
Base-Backbone interact. energy: -0.001
local terms energy: -49.785728
where:
bonds (distance) C4'-P energy: -6.952
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -5.930
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -61.305569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -61.305569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -61.305569 (E_RNA)
where:
Base-Base interactions energy: -23.863
where: short stacking energy: -22.708
Base-Backbone interact. energy: -0.166
local terms energy: -37.277144
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -6.890
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: 0.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -193.940696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.940696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.940696 (E_RNA)
where:
Base-Base interactions energy: -128.133
where: short stacking energy: -59.701
Base-Backbone interact. energy: -0.013
local terms energy: -65.795053
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -16.740
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: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -188.534428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.534428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.534428 (E_RNA)
where:
Base-Base interactions energy: -126.289
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.006
local terms energy: -62.239649
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -185.758930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.758930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.758930 (E_RNA)
where:
Base-Base interactions energy: -127.516
where: short stacking energy: -59.907
Base-Backbone interact. energy: -0.002
local terms energy: -58.241539
where:
bonds (distance) C4'-P energy: -10.623
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -191.966941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.966941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.966941 (E_RNA)
where:
Base-Base interactions energy: -129.252
where: short stacking energy: -57.783
Base-Backbone interact. energy: -0.014
local terms energy: -62.700946
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.506
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: 3
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -174.578263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.578263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.578263 (E_RNA)
where:
Base-Base interactions energy: -116.449
where: short stacking energy: -52.635
Base-Backbone interact. energy: -0.001
local terms energy: -58.128913
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -6.223
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -174.852184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.852184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.852184 (E_RNA)
where:
Base-Base interactions energy: -114.892
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.308
local terms energy: -59.652297
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -185.981498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.981498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.981498 (E_RNA)
where:
Base-Base interactions energy: -123.162
where: short stacking energy: -58.354
Base-Backbone interact. energy: -0.055
local terms energy: -62.765235
where:
bonds (distance) C4'-P energy: -12.631
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -15.242
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: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -170.821679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.821679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.821679 (E_RNA)
where:
Base-Base interactions energy: -115.386
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.000
local terms energy: -55.435045
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -165.463253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.463253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.463253 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.913
local terms energy: -46.929815
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -7.787
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -11.124
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: 10, replica: 6
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -74.392768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.392768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.392768 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -29.061
Base-Backbone interact. energy: -0.160
local terms energy: -38.076990
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -5.246
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -4.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -196.928434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.928434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.928434 (E_RNA)
where:
Base-Base interactions energy: -130.517
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.012
local terms energy: -66.399236
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -18.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -189.979856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.979856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.979856 (E_RNA)
where:
Base-Base interactions energy: -129.708
where: short stacking energy: -57.502
Base-Backbone interact. energy: -0.018
local terms energy: -60.254108
where:
bonds (distance) C4'-P energy: -12.097
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -182.942717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.942717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.942717 (E_RNA)
where:
Base-Base interactions energy: -127.769
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.015
local terms energy: -55.158419
where:
bonds (distance) C4'-P energy: -10.337
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -8.107
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: 4, replica: 9
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -179.842845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.842845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.842845 (E_RNA)
where:
Base-Base interactions energy: -125.217
where: short stacking energy: -53.540
Base-Backbone interact. energy: -0.099
local terms energy: -54.527417
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -6.644
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -13.185
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: 3
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -186.388915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.388915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.388915 (E_RNA)
where:
Base-Base interactions energy: -125.566
where: short stacking energy: -57.719
Base-Backbone interact. energy: -0.000
local terms energy: -60.822989
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -172.949752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.949752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.949752 (E_RNA)
where:
Base-Base interactions energy: -126.306
where: short stacking energy: -50.552
Base-Backbone interact. energy: -0.502
local terms energy: -46.142579
where:
bonds (distance) C4'-P energy: -11.170
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: -8.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -163.605014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.605014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.605014 (E_RNA)
where:
Base-Base interactions energy: -113.430
where: short stacking energy: -44.288
Base-Backbone interact. energy: -0.260
local terms energy: -49.914496
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -8.449
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -8.598
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: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -169.126939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.126939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.126939 (E_RNA)
where:
Base-Base interactions energy: -115.819
where: short stacking energy: -45.305
Base-Backbone interact. energy: -0.007
local terms energy: -53.301377
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -11.621
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -70.118299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.118299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.118299 (E_RNA)
where:
Base-Base interactions energy: -29.322
where: short stacking energy: -26.065
Base-Backbone interact. energy: -0.018
local terms energy: -40.777735
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -161.109610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.109610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.109610 (E_RNA)
where:
Base-Base interactions energy: -110.154
where: short stacking energy: -45.815
Base-Backbone interact. energy: -0.035
local terms energy: -50.920597
where:
bonds (distance) C4'-P energy: -9.766
bonds (distance) P-C4' energy: -10.761
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -200.225312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.225312 (E_RNA)
where:
Base-Base interactions energy: -133.655
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.157
local terms energy: -66.413020
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -190.297593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.297593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.297593 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.018
local terms energy: -62.438433
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -16.905
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: 485
Temperature: 1.000000
Total energy: -186.027092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.027092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.027092 (E_RNA)
where:
Base-Base interactions energy: -123.962
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.124
local terms energy: -61.941266
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -16.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -182.465610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.465610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.465610 (E_RNA)
where:
Base-Base interactions energy: -130.597
where: short stacking energy: -57.655
Base-Backbone interact. energy: -0.020
local terms energy: -51.848487
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -7.734
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -14.308
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: 9
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -183.037221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.037221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.037221 (E_RNA)
where:
Base-Base interactions energy: -122.147
where: short stacking energy: -52.848
Base-Backbone interact. energy: -0.001
local terms energy: -60.888542
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -177.909370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.909370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.909370 (E_RNA)
where:
Base-Base interactions energy: -122.144
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.002
local terms energy: -55.763338
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.541
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -170.645890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.645890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.645890 (E_RNA)
where:
Base-Base interactions energy: -116.561
where: short stacking energy: -50.263
Base-Backbone interact. energy: -0.006
local terms energy: -54.078587
where:
bonds (distance) C4'-P energy: -8.793
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -11.634
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: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -168.819315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.819315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.819315 (E_RNA)
where:
Base-Base interactions energy: -114.248
where: short stacking energy: -50.897
Base-Backbone interact. energy: -0.103
local terms energy: -54.467904
where:
bonds (distance) C4'-P energy: -8.847
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -16.243
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: 6
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -62.963845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.963845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.963845 (E_RNA)
where:
Base-Base interactions energy: -30.894
where: short stacking energy: -27.156
Base-Backbone interact. energy: 0.553
local terms energy: -32.622279
where:
bonds (distance) C4'-P energy: -4.620
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -9.363
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -2.177
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: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -168.330662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.330662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.330662 (E_RNA)
where:
Base-Base interactions energy: -113.813
where: short stacking energy: -47.395
Base-Backbone interact. energy: -0.125
local terms energy: -54.392501
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -191.881435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.881435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.881435 (E_RNA)
where:
Base-Base interactions energy: -130.818
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.000
local terms energy: -61.062922
where:
bonds (distance) C4'-P energy: -10.599
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -14.729
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: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -197.299915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.299915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.299915 (E_RNA)
where:
Base-Base interactions energy: -131.897
where: short stacking energy: -61.748
Base-Backbone interact. energy: -0.001
local terms energy: -65.401945
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -17.588
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: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -189.362613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.362613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.362613 (E_RNA)
where:
Base-Base interactions energy: -129.101
where: short stacking energy: -58.222
Base-Backbone interact. energy: -0.012
local terms energy: -60.249689
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -10.048
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -15.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -187.430033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.430033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.430033 (E_RNA)
where:
Base-Base interactions energy: -129.975
where: short stacking energy: -61.047
Base-Backbone interact. energy: -0.001
local terms energy: -57.453676
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -13.419
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: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -173.260947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.260947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.260947 (E_RNA)
where:
Base-Base interactions energy: -121.411
where: short stacking energy: -57.587
Base-Backbone interact. energy: -0.510
local terms energy: -51.340112
where:
bonds (distance) C4'-P energy: -9.021
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -13.595
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -177.839381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.839381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.839381 (E_RNA)
where:
Base-Base interactions energy: -117.945
where: short stacking energy: -52.553
Base-Backbone interact. energy: -0.177
local terms energy: -59.717453
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -14.578
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: 4
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -173.811111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.811111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.811111 (E_RNA)
where:
Base-Base interactions energy: -121.712
where: short stacking energy: -53.817
Base-Backbone interact. energy: -0.007
local terms energy: -52.091826
where:
bonds (distance) C4'-P energy: -10.974
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -5.531
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -171.099768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.099768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.099768 (E_RNA)
where:
Base-Base interactions energy: -118.945
where: short stacking energy: -52.232
Base-Backbone interact. energy: -0.028
local terms energy: -52.127424
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -7.389
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -7.908
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -162.335323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.335323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.335323 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -51.031
Base-Backbone interact. energy: -0.071
local terms energy: -48.581181
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -11.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -70.507306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.507306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.507306 (E_RNA)
where:
Base-Base interactions energy: -32.039
where: short stacking energy: -32.039
Base-Backbone interact. energy: -0.205
local terms energy: -38.263232
where:
bonds (distance) C4'-P energy: -9.799
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -7.076
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -193.565255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.565255 (E_RNA)
where:
Base-Base interactions energy: -131.032
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.004
local terms energy: -62.529613
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -11.361
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -13.987
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: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -188.721221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.721221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.721221 (E_RNA)
where:
Base-Base interactions energy: -131.853
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.092
local terms energy: -56.776253
where:
bonds (distance) C4'-P energy: -7.563
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -186.766090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.766090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.766090 (E_RNA)
where:
Base-Base interactions energy: -128.937
where: short stacking energy: -53.971
Base-Backbone interact. energy: -0.001
local terms energy: -57.828237
where:
bonds (distance) C4'-P energy: -9.593
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -7.810
tors. eta vs tors. theta energy: -15.404
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: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -192.805763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.805763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805763 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -59.928
Base-Backbone interact. energy: -0.000
local terms energy: -59.935749
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -16.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -185.439235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.439235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.439235 (E_RNA)
where:
Base-Base interactions energy: -127.674
where: short stacking energy: -56.757
Base-Backbone interact. energy: -0.001
local terms energy: -57.765021
where:
bonds (distance) C4'-P energy: -7.770
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -15.990
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: 4
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -171.320961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.320961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.320961 (E_RNA)
where:
Base-Base interactions energy: -113.855
where: short stacking energy: -47.489
Base-Backbone interact. energy: -0.002
local terms energy: -57.463581
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -13.487
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: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -178.954154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.954154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.954154 (E_RNA)
where:
Base-Base interactions energy: -122.722
where: short stacking energy: -53.795
Base-Backbone interact. energy: -0.122
local terms energy: -56.110170
where:
bonds (distance) C4'-P energy: -5.629
bonds (distance) P-C4' energy: -11.538
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -172.229309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.229309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.229309 (E_RNA)
where:
Base-Base interactions energy: -118.566
where: short stacking energy: -50.061
Base-Backbone interact. energy: 0.950
local terms energy: -54.613828
where:
bonds (distance) C4'-P energy: -7.907
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -13.513
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: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -152.797370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.797370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.797370 (E_RNA)
where:
Base-Base interactions energy: -105.393
where: short stacking energy: -42.058
Base-Backbone interact. energy: 1.552
local terms energy: -48.957242
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -9.105
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -6.226
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: 6
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -68.461050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.461050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.461050 (E_RNA)
where:
Base-Base interactions energy: -31.689
where: short stacking energy: -30.991
Base-Backbone interact. energy: -0.200
local terms energy: -36.571514
where:
bonds (distance) C4'-P energy: -11.186
bonds (distance) P-C4' energy: -9.977
flat angles C4'-P-C4' energy: -8.452
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -1.481
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: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -190.500782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.500782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.500782 (E_RNA)
where:
Base-Base interactions energy: -130.716
where: short stacking energy: -60.730
Base-Backbone interact. energy: -0.000
local terms energy: -59.784220
where:
bonds (distance) C4'-P energy: -11.095
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.800
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -13.414
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: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -189.813247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.813247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.813247 (E_RNA)
where:
Base-Base interactions energy: -130.414
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.000
local terms energy: -59.399458
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -188.069853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.069853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.069853 (E_RNA)
where:
Base-Base interactions energy: -128.831
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.049
local terms energy: -59.189046
where:
bonds (distance) C4'-P energy: -12.205
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -188.033705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.033705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.033705 (E_RNA)
where:
Base-Base interactions energy: -128.448
where: short stacking energy: -59.297
Base-Backbone interact. energy: -0.007
local terms energy: -59.579107
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -8.957
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -180.375989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.375989 (E_RNA)
where:
Base-Base interactions energy: -124.465
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.123
local terms energy: -55.788389
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -12.605
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: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -177.083562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.083562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.083562 (E_RNA)
where:
Base-Base interactions energy: -123.434
where: short stacking energy: -51.026
Base-Backbone interact. energy: -0.570
local terms energy: -53.080161
where:
bonds (distance) C4'-P energy: -8.263
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -10.685
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: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -186.156064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.156064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.156064 (E_RNA)
where:
Base-Base interactions energy: -130.767
where: short stacking energy: -61.784
Base-Backbone interact. energy: -0.017
local terms energy: -55.371771
where:
bonds (distance) C4'-P energy: -7.179
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -174.433477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.433477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.433477 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.001
local terms energy: -52.559318
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -11.107
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: 9, replica: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -163.643593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.643593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.643593 (E_RNA)
where:
Base-Base interactions energy: -111.800
where: short stacking energy: -49.343
Base-Backbone interact. energy: -0.084
local terms energy: -51.759806
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -6.733
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -65.691115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.691115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.691115 (E_RNA)
where:
Base-Base interactions energy: -27.276
where: short stacking energy: -25.612
Base-Backbone interact. energy: -0.194
local terms energy: -38.221114
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -7.107
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -2.532
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: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -190.651809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.651809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.651809 (E_RNA)
where:
Base-Base interactions energy: -128.580
where: short stacking energy: -59.474
Base-Backbone interact. energy: -0.006
local terms energy: -62.066559
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -187.812058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.812058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.812058 (E_RNA)
where:
Base-Base interactions energy: -127.313
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.033
local terms energy: -60.466023
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -15.864
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: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -189.480822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.480822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.480822 (E_RNA)
where:
Base-Base interactions energy: -128.282
where: short stacking energy: -57.244
Base-Backbone interact. energy: -0.095
local terms energy: -61.103830
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -14.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -187.055160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.055160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.055160 (E_RNA)
where:
Base-Base interactions energy: -133.176
where: short stacking energy: -62.649
Base-Backbone interact. energy: -0.040
local terms energy: -53.839485
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -7.320
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -16.026
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: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -184.209349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.209349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.209349 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.100
local terms energy: -59.563046
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -174.903133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.903133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.903133 (E_RNA)
where:
Base-Base interactions energy: -131.207
where: short stacking energy: -51.480
Base-Backbone interact. energy: -0.064
local terms energy: -43.631541
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -6.667
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: -10.613
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: 1
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -169.096880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.096880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.096880 (E_RNA)
where:
Base-Base interactions energy: -119.218
where: short stacking energy: -47.790
Base-Backbone interact. energy: -0.133
local terms energy: -49.746403
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -10.664
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -10.014
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: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -177.484406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.484406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.484406 (E_RNA)
where:
Base-Base interactions energy: -125.417
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.067
local terms energy: -52.000303
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -9.758
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -171.663971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.663971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.663971 (E_RNA)
where:
Base-Base interactions energy: -117.302
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.044
local terms energy: -54.317855
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -5.504
tors. eta vs tors. theta energy: -15.103
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: 10, replica: 6
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -62.759364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.759364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.759364 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -27.974
Base-Backbone interact. energy: -0.188
local terms energy: -30.050679
where:
bonds (distance) C4'-P energy: -10.362
bonds (distance) P-C4' energy: -5.371
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -197.575877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575877 (E_RNA)
where:
Base-Base interactions energy: -132.723
where: short stacking energy: -62.533
Base-Backbone interact. energy: -0.002
local terms energy: -64.851529
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.131
tors. eta vs tors. theta energy: -17.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -188.277637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.277637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.277637 (E_RNA)
where:
Base-Base interactions energy: -129.468
where: short stacking energy: -54.341
Base-Backbone interact. energy: -0.375
local terms energy: -58.434121
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -7.897
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -192.300522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.300522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.300522 (E_RNA)
where:
Base-Base interactions energy: -132.667
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.001
local terms energy: -59.632627
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -185.293755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.293755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.293755 (E_RNA)
where:
Base-Base interactions energy: -128.387
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.000
local terms energy: -56.906927
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -13.561
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: 490
Temperature: 1.100000
Total energy: -179.121628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.121628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.121628 (E_RNA)
where:
Base-Base interactions energy: -119.971
where: short stacking energy: -52.010
Base-Backbone interact. energy: -1.387
local terms energy: -57.764185
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.205
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: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -178.217362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217362 (E_RNA)
where:
Base-Base interactions energy: -118.778
where: short stacking energy: -53.847
Base-Backbone interact. energy: -0.400
local terms energy: -59.038976
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -9.069
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -174.456348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.456348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.456348 (E_RNA)
where:
Base-Base interactions energy: -126.343
where: short stacking energy: -54.647
Base-Backbone interact. energy: -0.007
local terms energy: -48.106127
where:
bonds (distance) C4'-P energy: -4.091
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -14.312
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: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -168.293624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.293624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.293624 (E_RNA)
where:
Base-Base interactions energy: -115.540
where: short stacking energy: -49.447
Base-Backbone interact. energy: -0.004
local terms energy: -52.748887
where:
bonds (distance) C4'-P energy: -3.679
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -15.846
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: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -154.940670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.940670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.940670 (E_RNA)
where:
Base-Base interactions energy: -105.124
where: short stacking energy: -47.226
Base-Backbone interact. energy: -0.000
local terms energy: -49.816047
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -10.393
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: 10, replica: 6
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -71.421188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.421188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.421188 (E_RNA)
where:
Base-Base interactions energy: -31.308
where: short stacking energy: -31.308
Base-Backbone interact. energy: -0.184
local terms energy: -39.928773
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -7.879
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -188.309184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.309184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.309184 (E_RNA)
where:
Base-Base interactions energy: -131.280
where: short stacking energy: -60.838
Base-Backbone interact. energy: -0.022
local terms energy: -57.007527
where:
bonds (distance) C4'-P energy: -11.720
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -13.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -194.985244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.985244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.985244 (E_RNA)
where:
Base-Base interactions energy: -133.278
where: short stacking energy: -58.857
Base-Backbone interact. energy: -0.001
local terms energy: -61.706609
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -16.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -189.819249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.819249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.819249 (E_RNA)
where:
Base-Base interactions energy: -131.341
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.281
local terms energy: -58.197142
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -183.521280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.521280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.521280 (E_RNA)
where:
Base-Base interactions energy: -127.310
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.018
local terms energy: -56.193280
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -10.765
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -185.525305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.525305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.525305 (E_RNA)
where:
Base-Base interactions energy: -130.313
where: short stacking energy: -54.330
Base-Backbone interact. energy: -0.080
local terms energy: -55.132219
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -180.859504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.859504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.859504 (E_RNA)
where:
Base-Base interactions energy: -119.720
where: short stacking energy: -56.011
Base-Backbone interact. energy: -0.287
local terms energy: -60.852053
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -15.652
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: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -183.097549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.097549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.097549 (E_RNA)
where:
Base-Base interactions energy: -121.992
where: short stacking energy: -57.122
Base-Backbone interact. energy: -0.047
local terms energy: -61.058247
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -14.003
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: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -171.032731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.032731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.032731 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -46.770
Base-Backbone interact. energy: -0.829
local terms energy: -54.832806
where:
bonds (distance) C4'-P energy: -9.550
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -171.964227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.964227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.964227 (E_RNA)
where:
Base-Base interactions energy: -119.142
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.032
local terms energy: -52.790216
where:
bonds (distance) C4'-P energy: -8.425
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -11.940
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: 10, replica: 6
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.464015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.464015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.464015 (E_RNA)
where:
Base-Base interactions energy: -32.147
where: short stacking energy: -32.147
Base-Backbone interact. energy: -0.015
local terms energy: -44.301565
where:
bonds (distance) C4'-P energy: -7.144
bonds (distance) P-C4' energy: -11.902
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -4.244
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: 10
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -192.560784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.560784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.560784 (E_RNA)
where:
Base-Base interactions energy: -132.582
where: short stacking energy: -60.518
Base-Backbone interact. energy: -0.000
local terms energy: -59.978785
where:
bonds (distance) C4'-P energy: -9.551
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -187.702602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.702602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.702602 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -57.490
Base-Backbone interact. energy: -0.519
local terms energy: -59.498864
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -180.093794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.093794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.093794 (E_RNA)
where:
Base-Base interactions energy: -123.492
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.968
local terms energy: -55.633740
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -12.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -181.476297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.476297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.476297 (E_RNA)
where:
Base-Base interactions energy: -126.037
where: short stacking energy: -59.968
Base-Backbone interact. energy: -0.009
local terms energy: -55.430657
where:
bonds (distance) C4'-P energy: -9.771
bonds (distance) P-C4' energy: -11.081
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -14.205
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: 5, replica: 9
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -176.615601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.615601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.615601 (E_RNA)
where:
Base-Base interactions energy: -119.788
where: short stacking energy: -52.485
Base-Backbone interact. energy: -0.101
local terms energy: -56.726227
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -10.911
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.840
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -171.246342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.246342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.246342 (E_RNA)
where:
Base-Base interactions energy: -116.021
where: short stacking energy: -50.992
Base-Backbone interact. energy: -0.063
local terms energy: -55.162635
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -12.271
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: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -175.651566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.651566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.651566 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -53.272
Base-Backbone interact. energy: -0.001
local terms energy: -48.320868
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -7.554
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -5.802
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -160.377596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.377596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377596 (E_RNA)
where:
Base-Base interactions energy: -110.255
where: short stacking energy: -47.656
Base-Backbone interact. energy: -0.318
local terms energy: -49.805370
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -12.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -163.084824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084824 (E_RNA)
where:
Base-Base interactions energy: -110.181
where: short stacking energy: -42.986
Base-Backbone interact. energy: -0.011
local terms energy: -52.892935
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -11.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -80.228260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.228260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.228260 (E_RNA)
where:
Base-Base interactions energy: -44.635
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.322
local terms energy: -35.271774
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -2.437
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -196.339392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.339392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.339392 (E_RNA)
where:
Base-Base interactions energy: -135.146
where: short stacking energy: -63.341
Base-Backbone interact. energy: -0.022
local terms energy: -61.171602
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -189.475318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.475318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.475318 (E_RNA)
where:
Base-Base interactions energy: -129.895
where: short stacking energy: -60.566
Base-Backbone interact. energy: -0.077
local terms energy: -59.504081
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -181.680921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.680921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.680921 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -53.232
Base-Backbone interact. energy: -0.157
local terms energy: -55.253088
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -13.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -186.980804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.980804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.980804 (E_RNA)
where:
Base-Base interactions energy: -126.271
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.213
local terms energy: -60.495909
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -180.241183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.241183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.241183 (E_RNA)
where:
Base-Base interactions energy: -133.316
where: short stacking energy: -60.172
Base-Backbone interact. energy: -0.010
local terms energy: -46.915309
where:
bonds (distance) C4'-P energy: -7.084
bonds (distance) P-C4' energy: -7.588
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -15.890
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: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -173.852042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.852042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.852042 (E_RNA)
where:
Base-Base interactions energy: -124.047
where: short stacking energy: -52.418
Base-Backbone interact. energy: -0.246
local terms energy: -49.558685
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -7.260
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -7.895
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -179.030587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.030587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.030587 (E_RNA)
where:
Base-Base interactions energy: -124.100
where: short stacking energy: -55.695
Base-Backbone interact. energy: -0.043
local terms energy: -54.887859
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -9.548
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -177.737722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.737722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.737722 (E_RNA)
where:
Base-Base interactions energy: -120.433
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.022
local terms energy: -57.281954
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -11.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -173.792684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.792684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.792684 (E_RNA)
where:
Base-Base interactions energy: -120.853
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.029
local terms energy: -52.910924
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -9.697
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -3.558
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -68.841821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.841821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.841821 (E_RNA)
where:
Base-Base interactions energy: -34.003
where: short stacking energy: -17.429
Base-Backbone interact. energy: -0.330
local terms energy: -34.509345
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -7.656
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -191.576949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.576949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.576949 (E_RNA)
where:
Base-Base interactions energy: -127.941
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.001
local terms energy: -63.634753
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -188.128814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.128814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.128814 (E_RNA)
where:
Base-Base interactions energy: -128.677
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.000
local terms energy: -59.451118
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -13.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -182.841764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.841764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.841764 (E_RNA)
where:
Base-Base interactions energy: -123.929
where: short stacking energy: -54.813
Base-Backbone interact. energy: -0.001
local terms energy: -58.912652
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -10.398
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -15.229
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: 2
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -185.103490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.103490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.103490 (E_RNA)
where:
Base-Base interactions energy: -126.143
where: short stacking energy: -57.503
Base-Backbone interact. energy: -0.131
local terms energy: -58.829853
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -14.904
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: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -169.483396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.483396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.483396 (E_RNA)
where:
Base-Base interactions energy: -119.394
where: short stacking energy: -51.788
Base-Backbone interact. energy: -0.017
local terms energy: -50.071478
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -8.873
flat angles C4'-P-C4' energy: -11.294
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -9.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -181.958474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.958474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.958474 (E_RNA)
where:
Base-Base interactions energy: -123.185
where: short stacking energy: -52.416
Base-Backbone interact. energy: -0.063
local terms energy: -58.709778
where:
bonds (distance) C4'-P energy: -10.627
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -15.856
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: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -175.651478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.651478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.651478 (E_RNA)
where:
Base-Base interactions energy: -123.844
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.000
local terms energy: -51.807614
where:
bonds (distance) C4'-P energy: -9.643
bonds (distance) P-C4' energy: -10.229
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -166.939341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.939341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.939341 (E_RNA)
where:
Base-Base interactions energy: -116.957
where: short stacking energy: -53.331
Base-Backbone interact. energy: 0.097
local terms energy: -50.079276
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -11.540
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -3.345
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -164.171275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.171275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.171275 (E_RNA)
where:
Base-Base interactions energy: -106.475
where: short stacking energy: -44.209
Base-Backbone interact. energy: -0.117
local terms energy: -57.579476
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -66.337246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.337246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.337246 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.106
local terms energy: -37.970758
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -10.915
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -2.182
tors. eta vs tors. theta energy: -3.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -193.051624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.051624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.051624 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.002
local terms energy: -57.964386
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -13.979
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: 9
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -190.305926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.305926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.305926 (E_RNA)
where:
Base-Base interactions energy: -131.029
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.305
local terms energy: -58.971303
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.458
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: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -185.102748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.102748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.102748 (E_RNA)
where:
Base-Base interactions energy: -127.274
where: short stacking energy: -60.295
Base-Backbone interact. energy: -0.000
local terms energy: -57.828659
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.003
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: 5
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -183.534963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.534963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.534963 (E_RNA)
where:
Base-Base interactions energy: -121.715
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.012
local terms energy: -61.807978
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -181.744123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.744123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.744123 (E_RNA)
where:
Base-Base interactions energy: -123.715
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.616
local terms energy: -57.413330
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -9.599
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -185.200486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.200486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.200486 (E_RNA)
where:
Base-Base interactions energy: -130.379
where: short stacking energy: -61.906
Base-Backbone interact. energy: -0.006
local terms energy: -54.815234
where:
bonds (distance) C4'-P energy: -9.257
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -16.143
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: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -176.845815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.845815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.845815 (E_RNA)
where:
Base-Base interactions energy: -126.350
where: short stacking energy: -57.971
Base-Backbone interact. energy: -0.019
local terms energy: -50.476400
where:
bonds (distance) C4'-P energy: -6.657
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -13.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -165.329542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.329542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.329542 (E_RNA)
where:
Base-Base interactions energy: -122.459
where: short stacking energy: -42.789
Base-Backbone interact. energy: -0.012
local terms energy: -42.859122
where:
bonds (distance) C4'-P energy: -8.707
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -6.212
flat angles P-C4'-P energy: -4.110
tors. eta vs tors. theta energy: -9.395
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: 495
Temperature: 1.300000
Total energy: -165.645353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.645353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.645353 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -49.754
Base-Backbone interact. energy: 0.315
local terms energy: -50.672719
where:
bonds (distance) C4'-P energy: -6.964
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -3.217
tors. eta vs tors. theta energy: -15.866
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: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -66.546816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.546816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.546816 (E_RNA)
where:
Base-Base interactions energy: -25.093
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.069
local terms energy: -41.385591
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -8.577
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -3.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -194.442797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.442797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.442797 (E_RNA)
where:
Base-Base interactions energy: -129.765
where: short stacking energy: -60.729
Base-Backbone interact. energy: -0.002
local terms energy: -64.675336
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -190.323351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.323351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.323351 (E_RNA)
where:
Base-Base interactions energy: -131.719
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.000
local terms energy: -58.603968
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -188.739644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.739644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.739644 (E_RNA)
where:
Base-Base interactions energy: -129.539
where: short stacking energy: -58.825
Base-Backbone interact. energy: -0.188
local terms energy: -59.012809
where:
bonds (distance) C4'-P energy: -8.002
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -13.644
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: 4, replica: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -177.962954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.962954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.962954 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -53.495
Base-Backbone interact. energy: -0.002
local terms energy: -54.519149
where:
bonds (distance) C4'-P energy: -7.025
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -11.993
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: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -185.935159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.935159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.935159 (E_RNA)
where:
Base-Base interactions energy: -130.490
where: short stacking energy: -59.180
Base-Backbone interact. energy: -0.002
local terms energy: -55.443762
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -176.954549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.954549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.954549 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -52.419
Base-Backbone interact. energy: -0.591
local terms energy: -61.453735
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -172.651174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651174 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -49.488
Base-Backbone interact. energy: -0.011
local terms energy: -56.419081
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -176.044718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.044718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.044718 (E_RNA)
where:
Base-Base interactions energy: -124.082
where: short stacking energy: -54.058
Base-Backbone interact. energy: -0.002
local terms energy: -51.961219
where:
bonds (distance) C4'-P energy: -8.585
bonds (distance) P-C4' energy: -8.191
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -12.247
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: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -166.330463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.330463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.330463 (E_RNA)
where:
Base-Base interactions energy: -112.891
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.774
local terms energy: -52.665774
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -6.526
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: 10, replica: 6
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -67.734808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.734808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.734808 (E_RNA)
where:
Base-Base interactions energy: -23.053
where: short stacking energy: -21.279
Base-Backbone interact. energy: -0.186
local terms energy: -44.496283
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -7.570
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -3.218
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: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -193.071082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.071082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.071082 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.209
local terms energy: -62.735534
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -10.509
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -14.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -193.538773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.538773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.538773 (E_RNA)
where:
Base-Base interactions energy: -132.888
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.002
local terms energy: -60.648706
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -10.117
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -14.308
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: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -186.256257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.256257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.256257 (E_RNA)
where:
Base-Base interactions energy: -128.153
where: short stacking energy: -60.971
Base-Backbone interact. energy: 0.268
local terms energy: -58.370910
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -6.451
tors. eta vs tors. theta energy: -12.250
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: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -181.747722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.747722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.747722 (E_RNA)
where:
Base-Base interactions energy: -125.990
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.006
local terms energy: -55.752572
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -15.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -178.456075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.456075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.456075 (E_RNA)
where:
Base-Base interactions energy: -126.047
where: short stacking energy: -49.267
Base-Backbone interact. energy: -0.022
local terms energy: -52.386725
where:
bonds (distance) C4'-P energy: -10.540
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -10.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -180.655889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.655889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655889 (E_RNA)
where:
Base-Base interactions energy: -125.879
where: short stacking energy: -58.503
Base-Backbone interact. energy: -0.001
local terms energy: -54.776226
where:
bonds (distance) C4'-P energy: -7.406
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -173.119246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.119246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.119246 (E_RNA)
where:
Base-Base interactions energy: -120.467
where: short stacking energy: -55.949
Base-Backbone interact. energy: -0.008
local terms energy: -52.644768
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -6.583
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -176.630383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.630383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.630383 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.213
local terms energy: -54.006638
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -174.288190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.288190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.288190 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.003
local terms energy: -53.620443
where:
bonds (distance) C4'-P energy: -8.612
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -4.893
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -64.663379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -64.663379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -64.663379 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.158
local terms energy: -34.770583
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -7.985
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: 1.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -194.334025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.334025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.334025 (E_RNA)
where:
Base-Base interactions energy: -131.112
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.002
local terms energy: -63.219961
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -16.585
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: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -190.495046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.495046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.495046 (E_RNA)
where:
Base-Base interactions energy: -130.110
where: short stacking energy: -60.763
Base-Backbone interact. energy: -0.001
local terms energy: -60.383854
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -193.976771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.976771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.976771 (E_RNA)
where:
Base-Base interactions energy: -142.032
where: short stacking energy: -59.082
Base-Backbone interact. energy: 0.048
local terms energy: -51.993130
where:
bonds (distance) C4'-P energy: -9.303
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -9.196
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -186.609657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.609657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.609657 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.009
local terms energy: -63.341293
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -11.838
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -182.712354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.712354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.712354 (E_RNA)
where:
Base-Base interactions energy: -122.189
where: short stacking energy: -55.449
Base-Backbone interact. energy: -0.037
local terms energy: -60.485868
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -14.821
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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -172.823570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.823570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.823570 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -50.980
Base-Backbone interact. energy: -0.192
local terms energy: -49.553862
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -10.145
flat angles C4'-P-C4' energy: -6.258
flat angles P-C4'-P energy: -7.237
tors. eta vs tors. theta energy: -15.133
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: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -184.573400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.573400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.573400 (E_RNA)
where:
Base-Base interactions energy: -127.041
where: short stacking energy: -57.848
Base-Backbone interact. energy: -0.007
local terms energy: -57.525952
where:
bonds (distance) C4'-P energy: -5.353
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -167.688911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.688911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.688911 (E_RNA)
where:
Base-Base interactions energy: -122.360
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.039
local terms energy: -45.289464
where:
bonds (distance) C4'-P energy: -5.967
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -7.219
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -14.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -164.551743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.551743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.551743 (E_RNA)
where:
Base-Base interactions energy: -113.534
where: short stacking energy: -53.891
Base-Backbone interact. energy: 1.329
local terms energy: -52.346811
where:
bonds (distance) C4'-P energy: -8.591
bonds (distance) P-C4' energy: -9.007
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -62.096104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -62.096104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -62.096104 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -29.961
Base-Backbone interact. energy: -0.035
local terms energy: -32.100619
where:
bonds (distance) C4'-P energy: -7.191
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -10.867
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -0.129
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: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -189.290612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290612 (E_RNA)
where:
Base-Base interactions energy: -129.488
where: short stacking energy: -58.869
Base-Backbone interact. energy: -0.001
local terms energy: -59.801946
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -15.688
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: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -191.716398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.716398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.716398 (E_RNA)
where:
Base-Base interactions energy: -134.371
where: short stacking energy: -57.189
Base-Backbone interact. energy: -0.095
local terms energy: -57.250560
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -187.548376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.548376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.548376 (E_RNA)
where:
Base-Base interactions energy: -130.810
where: short stacking energy: -57.815
Base-Backbone interact. energy: -0.000
local terms energy: -56.738758
where:
bonds (distance) C4'-P energy: -8.744
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -14.278
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: 7
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -183.798319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.798319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.798319 (E_RNA)
where:
Base-Base interactions energy: -126.406
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.006
local terms energy: -57.386566
where:
bonds (distance) C4'-P energy: -9.808
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -15.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -180.655301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.655301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655301 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -55.225
Base-Backbone interact. energy: -0.000
local terms energy: -58.055597
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -15.448
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: 3
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -180.046986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.046986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.046986 (E_RNA)
where:
Base-Base interactions energy: -130.010
where: short stacking energy: -58.702
Base-Backbone interact. energy: -0.004
local terms energy: -50.032811
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -8.799
flat angles P-C4'-P energy: -2.752
tors. eta vs tors. theta energy: -15.607
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: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -178.499044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.499044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.499044 (E_RNA)
where:
Base-Base interactions energy: -120.026
where: short stacking energy: -53.391
Base-Backbone interact. energy: -0.304
local terms energy: -58.169850
where:
bonds (distance) C4'-P energy: -10.669
bonds (distance) P-C4' energy: -11.458
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -161.794772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.794772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.794772 (E_RNA)
where:
Base-Base interactions energy: -109.508
where: short stacking energy: -50.630
Base-Backbone interact. energy: -0.164
local terms energy: -52.123355
where:
bonds (distance) C4'-P energy: -9.274
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -155.542293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.542293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.542293 (E_RNA)
where:
Base-Base interactions energy: -113.017
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.001
local terms energy: -42.524925
where:
bonds (distance) C4'-P energy: -6.775
bonds (distance) P-C4' energy: -8.370
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -9.532
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: 6
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -96.633669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633669 (E_RNA)
where:
Base-Base interactions energy: -63.201
where: short stacking energy: -34.253
Base-Backbone interact. energy: -0.021
local terms energy: -33.411973
where:
bonds (distance) C4'-P energy: -0.933
bonds (distance) P-C4' energy: -8.917
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -195.227447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.227447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.227447 (E_RNA)
where:
Base-Base interactions energy: -134.054
where: short stacking energy: -64.254
Base-Backbone interact. energy: -0.594
local terms energy: -60.579753
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -17.454
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: 2, replica: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -186.929385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.929385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.929385 (E_RNA)
where:
Base-Base interactions energy: -135.811
where: short stacking energy: -58.038
Base-Backbone interact. energy: 1.342
local terms energy: -52.460482
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -12.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -184.504513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.504513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.504513 (E_RNA)
where:
Base-Base interactions energy: -123.271
where: short stacking energy: -51.849
Base-Backbone interact. energy: -0.403
local terms energy: -60.830716
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -179.055141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.055141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.055141 (E_RNA)
where:
Base-Base interactions energy: -120.929
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.001
local terms energy: -58.125889
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -10.859
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -180.913667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.913667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.913667 (E_RNA)
where:
Base-Base interactions energy: -125.033
where: short stacking energy: -52.504
Base-Backbone interact. energy: -0.144
local terms energy: -55.736380
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -176.743755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743755 (E_RNA)
where:
Base-Base interactions energy: -122.465
where: short stacking energy: -50.423
Base-Backbone interact. energy: -0.100
local terms energy: -54.178205
where:
bonds (distance) C4'-P energy: -9.004
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -12.226
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: 1
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -171.473529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.473529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.473529 (E_RNA)
where:
Base-Base interactions energy: -123.789
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.006
local terms energy: -47.677856
where:
bonds (distance) C4'-P energy: -2.136
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -13.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -170.179153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.179153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.179153 (E_RNA)
where:
Base-Base interactions energy: -113.697
where: short stacking energy: -48.811
Base-Backbone interact. energy: 1.124
local terms energy: -57.606105
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -10.790
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -176.723845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.723845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.723845 (E_RNA)
where:
Base-Base interactions energy: -126.887
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.159
local terms energy: -49.678261
where:
bonds (distance) C4'-P energy: -6.445
bonds (distance) P-C4' energy: -10.394
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -109.391606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.391606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.391606 (E_RNA)
where:
Base-Base interactions energy: -64.242
where: short stacking energy: -25.169
Base-Backbone interact. energy: -0.100
local terms energy: -45.049715
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -9.126
flat angles P-C4'-P energy: -3.607
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -195.229685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.229685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.229685 (E_RNA)
where:
Base-Base interactions energy: -134.260
where: short stacking energy: -62.036
Base-Backbone interact. energy: -0.002
local terms energy: -60.968025
where:
bonds (distance) C4'-P energy: -12.047
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -16.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -192.972968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.972968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.972968 (E_RNA)
where:
Base-Base interactions energy: -130.539
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.000
local terms energy: -62.433856
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -12.127
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -15.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -187.234584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.234584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.234584 (E_RNA)
where:
Base-Base interactions energy: -124.074
where: short stacking energy: -55.968
Base-Backbone interact. energy: -0.011
local terms energy: -63.149259
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -15.529
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: 4, replica: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -185.701778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.701778 (E_RNA)
where:
Base-Base interactions energy: -130.394
where: short stacking energy: -64.479
Base-Backbone interact. energy: -0.001
local terms energy: -55.306977
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -14.665
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: 501
Temperature: 1.100000
Total energy: -185.463824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.463824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.463824 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -57.532
Base-Backbone interact. energy: -0.068
local terms energy: -58.065200
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -15.493
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: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -170.724185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724185 (E_RNA)
where:
Base-Base interactions energy: -120.793
where: short stacking energy: -47.188
Base-Backbone interact. energy: -0.122
local terms energy: -49.808950
where:
bonds (distance) C4'-P energy: -9.018
bonds (distance) P-C4' energy: -8.417
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -9.428
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -175.835580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.835580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.835580 (E_RNA)
where:
Base-Base interactions energy: -124.136
where: short stacking energy: -55.040
Base-Backbone interact. energy: -0.012
local terms energy: -51.687454
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -8.378
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -8.576
tors. eta vs tors. theta energy: -13.017
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -168.034175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.034175 (E_RNA)
where:
Base-Base interactions energy: -117.308
where: short stacking energy: -51.032
Base-Backbone interact. energy: -0.002
local terms energy: -50.724808
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -12.947
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: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -156.036757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.036757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.036757 (E_RNA)
where:
Base-Base interactions energy: -103.005
where: short stacking energy: -39.385
Base-Backbone interact. energy: -0.124
local terms energy: -52.908480
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -11.620
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -8.665
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: 6
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -67.900261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.900261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.900261 (E_RNA)
where:
Base-Base interactions energy: -29.943
where: short stacking energy: -14.735
Base-Backbone interact. energy: -0.622
local terms energy: -37.335810
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -7.413
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: 0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 10865984
moves confirmed later: 12530441
all moves confirmed: 23396425
percent of confirmed moves: 2.924553
current total energy: -167.823049
recalc. total energy: -167.823049
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 9331503
moves confirmed later: 10445640
all moves confirmed: 19777143
percent of confirmed moves: 2.472143
current total energy: -174.237195
recalc. total energy: -174.237195
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 12198177
moves confirmed later: 14366574
all moves confirmed: 26564751
percent of confirmed moves: 3.320594
current total energy: -144.160740
recalc. total energy: -144.160740
replica 10 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 10088294
moves confirmed later: 11426021
all moves confirmed: 21514315
percent of confirmed moves: 2.689289
current total energy: -150.407562
recalc. total energy: -150.407562
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 10397356
moves confirmed later: 11906727
all moves confirmed: 22304083
percent of confirmed moves: 2.788010
current total energy: -151.913524
recalc. total energy: -151.913524
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 10249970
moves confirmed later: 11659022
all moves confirmed: 21908992
percent of confirmed moves: 2.738624
current total energy: -129.584795
recalc. total energy: -129.584795
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 8887994
moves confirmed later: 9890506
all moves confirmed: 18778500
percent of confirmed moves: 2.347313
current total energy: -151.963702
recalc. total energy: -151.963702
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 11927290
moves confirmed later: 13927204
all moves confirmed: 25854494
percent of confirmed moves: 3.231812
current total energy: -130.604294
recalc. total energy: -130.604294
replica 2 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 8657731
moves confirmed later: 9532897
all moves confirmed: 18190628
percent of confirmed moves: 2.273829
current total energy: -113.023357
recalc. total energy: -113.023357
replica 6 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 10983522
moves confirmed later: 12649398
all moves confirmed: 23632920
percent of confirmed moves: 2.954115
current total energy: -41.516441
recalc. total energy: -41.516441
out arg RESULTS//1/7KUC-80c0a440_01
Time of doing 8000000 iterations: 2676.532 seconds